| SpectraBase Spectrum ID |
GLzF8ZgfeXn |
| Name |
2-(Benzyloxycarbonylamino)-4-methyl-4-nitro-valeric acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.132136366 u |
| Formula |
C15H20N2O6 |
| InChI |
InChI=1S/C15H20N2O6/c1-15(2,17(20)21)9-12(13(18)22-3)16-14(19)23-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)/t12-/m0/s1 |
| InChIKey |
ZLBYGGIRUZBXEE-LBPRGKRZSA-N |
| Molecular Weight |
324.333 g/mol |
| SMILES |
C(N(=O)=O)(C[C@](NC(=O)OCC1=CC=CC=C1)(C(=O)OC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933867 |
