| SpectraBase Spectrum ID |
1qtT5rFCZbl |
| Name |
dl-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
537.475709509 u |
| Formula |
C33H63NO4 |
| InChI |
InChI=1S/C33H63NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-32(35)29(5)34(6)33(36)38-31-26-28(4)23-24-30(31)27(2)3/h27-31H,7-26H2,1-6H3 |
| InChIKey |
NGPGFZRECDSDNR-UHFFFAOYSA-N |
| Molecular Weight |
537.870 g/mol |
| SMILES |
CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906716 |
