| SpectraBase Spectrum ID |
a6WW8Wx2Dy |
| Name |
(3rs,3Ars,4sr,7rs,7asr)-3-allyl-2-benzyl-3-hydroxy-2,3,3A,4,7,7A-hexahydro-1H-4,7-methanoisoindol-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.157228918 u |
| Formula |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-2-10-19(22)17-15-9-8-14(11-15)16(17)18(21)20(19)12-13-6-4-3-5-7-13/h2-9,14-17,22H,1,10-12H2/t14-,15+,16+,17-,19+/m0/s1 |
| InChIKey |
ODMFYDMEQGGGKQ-WAXPSYRMSA-N |
| SMILES |
[C@]1(N(C([C@@]2([C@]3(C=C[C@@]([C@]12[H])(C3)[H])[H])[H])=O)CC=1C=CC=CC1)(O)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9314 |
