| SpectraBase Spectrum ID |
JzYs1gjuLdi |
| Name |
(2R,3S)-2,3-Epoxy-4-phenylbutyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.080100792 u |
| Formula |
C17H14N2O7 |
| InChI |
InChI=1S/C17H14N2O7/c20-17(12-7-13(18(21)22)9-14(8-12)19(23)24)25-10-16-15(26-16)6-11-4-2-1-3-5-11/h1-5,7-9,15-16H,6,10H2/t15-,16+/m0/s1 |
| InChIKey |
VTGSUWPBZXZCPN-JKSUJKDBSA-N |
| Molecular Weight |
358.306 g/mol |
| SMILES |
[C@]1(O[C@]1(CC1=CC=CC=C1)[H])(COC(C=1C=C(N(=O)=O)C=C(N(=O)=O)C1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917242 |
