| SpectraBase Spectrum ID |
DTyzo3zAlW0 |
| Name |
1-Phenyl-4-(propan-2-ylamino)-1-butanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.162314299 u |
| Formula |
C13H21NO |
| InChI |
InChI=1S/C13H21NO/c1-11(2)14-10-6-9-13(15)12-7-4-3-5-8-12/h3-5,7-8,11,13-15H,6,9-10H2,1-2H3 |
| InChIKey |
IJVOHISVWWINNP-UHFFFAOYSA-N |
| Molecular Weight |
207.317 g/mol |
| SMILES |
C1(C(O)CCCNC(C)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915836 |
