| SpectraBase Spectrum ID |
Cppcuh56wpV |
| Name |
5-(Benzylamino)-6-methyl-enanthic acid ethyl 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/c1-4-20-17(19)12-8-11-16(14(2)3)18-13-15-9-6-5-7-10-15/h5-7,9-10,14,16,18H,4,8,11-13H2,1-3H3 |
| InChIKey |
RSMASAAOTWVPJH-UHFFFAOYSA-N |
| Molecular Weight |
277.408 g/mol |
| SMILES |
C(NCC1=CC=CC=C1)(C(C)C)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89597 |
