| SpectraBase Spectrum ID |
HFa9s29slpP |
| Name |
(R)-2-Benzyloxycarbonylamino-4-nitro-pentanoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.116486302 u |
| Formula |
C14H18N2O6 |
| InChI |
InChI=1S/C14H18N2O6/c1-10(16(19)20)8-12(13(17)21-2)15-14(18)22-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)/t10-,12+/m1/s1 |
| InChIKey |
LIKZURGEMNLCFM-PWSUYJOCSA-N |
| Molecular Weight |
310.306 g/mol |
| SMILES |
[C@@](N(=O)=O)(C[C@](NC(=O)OCC1=CC=CC=C1)(C(=O)OC)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945077 |
