| SpectraBase Spectrum ID |
7uAnVsZyYXW |
| Name |
1H-Pyrido[3,4-B]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.171499257 u |
| Formula |
C23H26N2O2S |
| InChI |
InChI=1S/C23H26N2O2S/c1-23(2,28-15-9-5-4-6-10-15)14-20-21-17(13-19(24-20)22(26)27-3)16-11-7-8-12-18(16)25-21/h4-12,19-20,24-25H,13-14H2,1-3H3/t19-,20-/m0/s1 |
| InChIKey |
TUQJNFDKIIIXRW-PMACEKPBSA-N |
| Molecular Weight |
394.533 g/mol |
| SMILES |
C12=C(C=3C=CC=CC3N2)C[C@](N[C@]1(CC(SC=1C=CC=CC1)(C)C)[H])(C(=O)OC)[H] |
![1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-](/api/spectrum/7uAnVsZyYXW/structure.png?h=300&w=458 "1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-[2-methyl-2-(phenylthio)propyl]-, methyl ester, (1S-cis)-")
