| SpectraBase Spectrum ID |
CcVCUqdhXAd |
| Name |
L-Isoleucine, N-butoxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.240958543 u |
| Formula |
C17H33NO4 |
| InChI |
InChI=1S/C17H33NO4/c1-6-8-11-22-17(20)18-15(14(5)7-2)16(19)21-12-9-10-13(3)4/h13-15H,6-12H2,1-5H3,(H,18,20) |
| InChIKey |
NKRRTBVCRKJMTP-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
CCCCOC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927182 |
