| SpectraBase Spectrum ID |
s962IRrSsE |
| Name |
(R)-Ethyl 4-(nitromethyl)-2-phenyl-4H-chromene-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.110672646 u |
| Formula |
C19H17NO5 |
| InChI |
InChI=1S/C19H17NO5/c1-2-24-19(21)17-15(12-20(22)23)14-10-6-7-11-16(14)25-18(17)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3/t15-/m1/s1 |
| InChIKey |
YRUIFCFGIFREJS-OAHLLOKOSA-N |
| Molecular Weight |
339.347 g/mol |
| SMILES |
C1(=C(OC=2C([C@]1(CN(=O)=O)[H])=CC=CC2)C1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821867 |
