| SpectraBase Spectrum ID |
96MylX0ingb |
| Name |
Valine, N-methyl-N-neopentyloxycarbonyl-, pentyl 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/c1-8-9-10-11-21-15(19)14(13(2)3)18(7)16(20)22-12-17(4,5)6/h13-14H,8-12H2,1-7H3 |
| InChIKey |
ZIQRXJPGJADJNG-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
CC(COC(N(C(C(OCCCCC)=O)C(C)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938365 |
