| SpectraBase Spectrum ID |
7MKcQjp2gz0 |
| Name |
Sarcosine, N-(4-butylbenzoyl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.308644181 u |
| Formula |
C25H41NO3 |
| InChI |
InChI=1S/C25H41NO3/c1-4-6-8-9-10-11-12-13-14-20-29-24(27)21-26(3)25(28)23-18-16-22(17-19-23)15-7-5-2/h16-19H,4-15,20-21H2,1-3H3 |
| InChIKey |
IYQWDIHFTUJHID-UHFFFAOYSA-N |
| Molecular Weight |
403.607 g/mol |
| SMILES |
C1=CC(=CC=C1C(N(CC(OCCCCCCCCCCC)=O)C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87688 |
