| SpectraBase Spectrum ID |
EFyT2q4Gmn0 |
| Name |
(R)-Isopropyl 2-methyl-4-(nitromethyl)-4H-chromene-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.110672646 u |
| Formula |
C15H17NO5 |
| InChI |
InChI=1S/C15H17NO5/c1-9(2)20-15(17)14-10(3)21-13-7-5-4-6-11(13)12(14)8-16(18)19/h4-7,9,12H,8H2,1-3H3/t12-/m1/s1 |
| InChIKey |
DPFATLXMEVLXOR-GFCCVEGCSA-N |
| SMILES |
C1(=C(OC=2C=CC=CC2[C@]1(CN(=O)=O)[H])C)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916902 |
