| SpectraBase Spectrum ID |
8IchdQ3Zi6x |
| Name |
1-Propanol, 3-[(phenylmethyl)amino]-2-[(phenylmethyl)thio]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.134385473 u |
| Formula |
C17H21NOS |
| InChI |
InChI=1S/C17H21NOS/c19-13-17(20-14-16-9-5-2-6-10-16)12-18-11-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2 |
| InChIKey |
DFPHKGRCXOCVSX-UHFFFAOYSA-N |
| SMILES |
C(SCC1=CC=CC=C1)(CNCC=1C=CC=CC1)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891108 |
![1-Propanol, 3-[(phenylmethyl)amino]-2-[(phenylmethyl)thio]-](/api/spectrum/8IchdQ3Zi6x/structure.png?h=300&w=458 "1-Propanol, 3-[(phenylmethyl)amino]-2-[(phenylmethyl)thio]-")
