| SpectraBase Spectrum ID |
3OkmLDqSkbG |
| Name |
2-[(3R,3ar)-1-Benzyl-2-keto-3A-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.167793602 u |
| Formula |
C19H23NO3 |
| InChI |
InChI=1S/C19H23NO3/c1-19-11-7-6-10-16(19)20(13-14-8-4-3-5-9-14)18(22)15(19)12-17(21)23-2/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-,19+/m0/s1 |
| InChIKey |
RZJGMUKUZWMWKX-HNAYVOBHSA-N |
| Molecular Weight |
313.397 g/mol |
| SMILES |
C1(N(C=2[C@@]([C@]1(CC(=O)OC)[H])(CCCC2)C)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916513 |
![2-[(3R,3aR)-1-benzyl-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester](/api/spectrum/3OkmLDqSkbG/structure.png?h=300&w=458 "2-[(3R,3aR)-1-benzyl-2-keto-3a-methyl-3,4,5,6-tetrahydroindol-3-yl]acetic acid methyl ester")
