| SpectraBase Spectrum ID |
7gJs3VOc4iu |
| Name |
p-(Isobutylaminoacetamido)benzoic acid, butyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.171020434 u |
| Formula |
C17H27ClN2O3 |
| InChI |
InChI=1S/C17H26N2O3.ClH/c1-4-5-10-22-17(21)14-6-8-15(9-7-14)19-16(20)12-18-11-13(2)3;/h6-9,13,18H,4-5,10-12H2,1-3H3,(H,19,20);1H |
| InChIKey |
QBIYVJVECGMKJN-UHFFFAOYSA-N |
| Molecular Weight |
342.867 g/mol |
| SMILES |
Cl.N(C1=CC=C(C=C1)C(OCCCC)=O)C(CNCC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.952631 |
