| SpectraBase Spectrum ID |
EYQn1ZrkuMJ |
| Name |
.beta.-Alanyl-.beta.-alanine, N-(2-methylbenzoyl)-, hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.220557450 u |
| Formula |
C20H30N2O4 |
| InChI |
InChI=1S/C20H30N2O4/c1-3-4-5-8-15-26-19(24)12-14-21-18(23)11-13-22-20(25)17-10-7-6-9-16(17)2/h6-7,9-10H,3-5,8,11-15H2,1-2H3,(H,21,23)(H,22,25) |
| InChIKey |
IVYGABIRSWGWBC-UHFFFAOYSA-N |
| Molecular Weight |
362.470 g/mol |
| SMILES |
C(CNC(C1=CC=CC=C1C)=O)C(NCCC(OCCCCCC)=O)=O |
