| SpectraBase Spectrum ID |
BORRz6nkLj2 |
| Name |
Benzoic acid, 2-(3-methylbutyl)amino-, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.204179111 u |
| Formula |
C17H27NO2 |
| InChI |
InChI=1S/C17H27NO2/c1-13(2)9-11-18-16-8-6-5-7-15(16)17(19)20-12-10-14(3)4/h5-8,13-14,18H,9-12H2,1-4H3 |
| InChIKey |
JVOIWHLNJGEFLE-UHFFFAOYSA-N |
| Molecular Weight |
277.408 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCC(C)C)=O)NCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897617 |
