| SpectraBase Spectrum ID |
3apHhOOC8sr |
| Name |
Glycine, N-ethyl-N-neopentyloxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(29)23-28(7-2)26(30)32-24-27(3,4)5/h6-24H2,1-5H3 |
| InChIKey |
ZEOHWMOIRCPRLY-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
C(CCCOC(CN(C(OCC(C)(C)C)=O)CC)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825136 |
