| SpectraBase Compound ID | 5NvLWOG5t5A |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-5-8(4)17-13(16)10-9(5)6(2)11(14)7(3)12(10)15/h5,8,14-15H,1-4H3 |
| InChIKey | GMLFHEQJHMFUQF-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ab45CVAzMJ2 |
|---|---|
| Name | Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl- |
| Alternate Name(s) | 6,8-Dihydroxy-3,4,5,7-tetramethyl-3,4-dihydro-1H-isochromen-1-one 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3,4,5,7-tetramethyl- 3,4,5,7-tetramethyl-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one 6,8-Dihydroxy-3,4,5,7-tetramethyl-3,4-dihydro-1H-2-benzopyran-1-one 6,8-Dihydroxy-3,4,5,7-tetramethyl-3,4-dihydroisochromen-1-one 6,8-Dihydroxy-3,4,5,7-tetramethyl-isochroman-1-one |
| CAS Registry Number | 19314-94-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-5-8(4)17-13(16)10-9(5)6(2)11(14)7(3)12(10)15/h5,8,14-15H,1-4H3 |
| InChIKey | GMLFHEQJHMFUQF-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | Oc1c(c(c2c(c1C)C(C(OC2=O)C)C)O)C |
| SPLASH | splash10-052r-3390000000-ec96cc2bccef7e6fc448 |
| Source of Spectrum | AD-0-5269-0 |
| Wiley ID | 1238039 |