| SpectraBase Spectrum ID |
KbqFMSfbGnX |
| Name |
L-Allylglycine, N-isobutoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.381809122 u |
| Formula |
C27H51NO4 |
| InChI |
InChI=1S/C27H51NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-26(29)25(21-6-2)28-27(30)32-23-24(3)4/h6,24-25H,2,5,7-23H2,1,3-4H3,(H,28,30) |
| InChIKey |
ORVAUGLMNJUKBS-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C(CCCCCCCCOC(C(NC(OCC(C)C)=O)CC=C)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895904 |
