| SpectraBase Spectrum ID |
I6aeTr5yQ51 |
| Name |
N-{(R)-1-[3-(Methylsulfanyl)phenyl]ethyl}-3-phenyl-1-propanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.134385473 u |
| Formula |
C18H21NOS |
| InChI |
InChI=1S/C18H21NOS/c1-14(16-9-6-10-17(13-16)21-2)19-18(20)12-11-15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)/t14-/m1/s1 |
| InChIKey |
OEDSFFMVGWBBGC-CQSZACIVSA-N |
| SMILES |
C(N[C@@](C=1C=C(SC)C=CC1)(C)[H])(=O)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89133 |
![N-{(R)-1-[3-(Methylsulfanyl)phenyl]ethyl}-3-phenyl-1-propanamide](/api/spectrum/I6aeTr5yQ51/structure.png?h=300&w=458 "N-{(R)-1-[3-(Methylsulfanyl)phenyl]ethyl}-3-phenyl-1-propanamide")
