| SpectraBase Compound ID | 5Mc6Kc0uNrj |
|---|---|
| InChI | InChI=1S/C19H24O4S/c1-18-11-16(20)14-10-19(18,21)23-17(22-18)15(14)12-24-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-15,17,21H,5,8-12H2,1H3/t14-,15-,17+,18+,19-/m1/s1 |
| InChIKey | KGLHLWNMMZGUQQ-VKSUQKOCSA-N |
| Mol Weight | 348.46 g/mol |
| Molecular Formula | C19H24O4S |
| Exact Mass | 348.13953 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fmu2NvfTLVx |
|---|---|
| Name | 7R-PPT-PM-I (8-phenylpropylthiopaeonimetabolin-I) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H24O4S |
| InChI | InChI=1S/C19H24O4S/c1-18-11-16(20)14-10-19(18,21)23-17(22-18)15(14)12-24-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14-15,17,21H,5,8-12H2,1H3/t14-,15-,17+,18+,19-/m1/s1 |
| InChIKey | KGLHLWNMMZGUQQ-VKSUQKOCSA-N |
| Molecular Weight | 348.457 g/mol |
| SMILES | O[C@]12[C@]3(O[C@@](O2)([C@@](CSCCCc2ccccc2)([H])[C@@](C1)(C(=O)C3)[H])[H])C |
| SPLASH | splash10-014l-5900000000-a1ceec5d4615f8695569 |
| Source of Spectrum | E2-50-1234-4 |
| Wiley ID | 1555904 |