| SpectraBase Spectrum ID |
BaR4kS09Yvg |
| Name |
(5S,8S)-2-[(R)-3-Hydroxy-3-phenylpropyl]-8-(o-tolyl)-2-azaspiro[4.5]decan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.235479240 u |
| Formula |
C25H31NO2 |
| InChI |
InChI=1S/C25H31NO2/c1-19-7-5-6-10-22(19)20-11-14-25(15-12-20)16-18-26(24(25)28)17-13-23(27)21-8-3-2-4-9-21/h2-10,20,23,27H,11-18H2,1H3/t20-,23-,25+/m1/s1 |
| InChIKey |
CGMKQAVVOKDQGX-XRODADMRSA-N |
| Molecular Weight |
377.528 g/mol |
| SMILES |
C1(N(CC[C@]11CC[C@@](CC1)(C1=C(C=CC=C1)C)[H])CC[C@](C1=CC=CC=C1)(O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925962 |
![(5S,8S)-2-[(R)-3-Hydroxy-3-phenylpropyl]-8-(o-tolyl)-2-azaspiro[4.5]decan-1-one](/api/spectrum/BaR4kS09Yvg/structure.png?h=300&w=458 "(5S,8S)-2-[(R)-3-Hydroxy-3-phenylpropyl]-8-(o-tolyl)-2-azaspiro[4.5]decan-1-one")
