![Isoquinoline, decahydro-2-benzyl-3-[3,3-bis(ethylthiocarbonyl)propyl]-](/api/spectrum/BJvMgo3NaF4/structure.png?h=300&w=458 "Isoquinoline, decahydro-2-benzyl-3-[3,3-bis(ethylthiocarbonyl)propyl]-")
| SpectraBase Compound ID | IS2k3rrr01Z |
|---|---|
| InChI | InChI=1S/C25H37NO2S2/c1-3-29-24(27)23(25(28)30-4-2)15-14-22-16-20-12-8-9-13-21(20)18-26(22)17-19-10-6-5-7-11-19/h5-7,10-11,20-23H,3-4,8-9,12-18H2,1-2H3 |
| InChIKey | AQEMEDPEBLUDNF-UHFFFAOYSA-N |
| Mol Weight | 447.7 g/mol |
| Molecular Formula | C25H37NO2S2 |
| Exact Mass | 447.226572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BJvMgo3NaF4 |
|---|---|
| Name | Isoquinoline, decahydro-2-benzyl-3-[3,3-bis(ethylthiocarbonyl)propyl]- |
| Alternate Name(s) | 1-S,3-S-diethyl 2-[2-(2-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl)ethyl]propanebis(thioate) 2-[2-(2-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl)ethyl]propanebis(thioic acid) S1,S3-diethyl ester 2-[2-[2-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]ethyl]propanebis(thioic acid) S1,S3-diethyl ester S1,S3-diethyl 2-[2-(2-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl)ethyl]propanebis(thioate) S1,S3-diethyl 2-[2-[2-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]ethyl]propanebis(thioate) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H37NO2S2 |
| InChI | InChI=1S/C25H37NO2S2/c1-3-29-24(27)23(25(28)30-4-2)15-14-22-16-20-12-8-9-13-21(20)18-26(22)17-19-10-6-5-7-11-19/h5-7,10-11,20-23H,3-4,8-9,12-18H2,1-2H3 |
| InChIKey | AQEMEDPEBLUDNF-UHFFFAOYSA-N |
| Molecular Weight | 447.696 g/mol |
| SMILES | C12C(CCCC2)CN(C(C1)CCC(C(=O)SCC)C(=O)SCC)Cc1ccccc1 |
| SPLASH | splash10-004i-6190000000-53cfa29ca0c28f267f29 |
| Wiley ID | 1479279 |