| SpectraBase Spectrum ID |
2Tp9zytimJu |
| Name |
L-Valine, N-benzyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.178358285 u |
| Formula |
C17H25NO4 |
| InChI |
InChI=1S/C17H25NO4/c1-12(2)10-21-16(19)15(13(3)4)18-17(20)22-11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,20) |
| InChIKey |
WHFJEOWYZCGMJL-UHFFFAOYSA-N |
| Molecular Weight |
307.390 g/mol |
| SMILES |
C(NC(OCC1=CC=CC=C1)=O)(C(OCC(C)C)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971497 |
