| SpectraBase Spectrum ID |
KYr0DYWDycz |
| Name |
(3as,7ar)-1-p-Anisyl-3A,6,7,7A-tetrahydro-3H-indol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.141578854 u |
| Formula |
C16H19NO2 |
| InChI |
InChI=1S/C16H19NO2/c1-19-14-8-6-12(7-9-14)11-17-15-5-3-2-4-13(15)10-16(17)18/h2,4,6-9,13,15H,3,5,10-11H2,1H3/t13-,15-/m1/s1 |
| InChIKey |
LEIIQLULLSZYKI-UKRRQHHQSA-N |
| Molecular Weight |
257.333 g/mol |
| SMILES |
C1(N([C@@]2(CCC=C[C@@]2(C1)[H])[H])CC=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977366 |
