| SpectraBase Spectrum ID |
1HkAsTndDyV |
| Name |
(R)-2-Methyl-5-(2-(4-nitrophenyl)-2-oxoethyl)cyclopent-1-enecarbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.100107963 u |
| Formula |
C15H15NO4 |
| InChI |
InChI=1S/C15H15NO4/c1-10-2-3-12(14(10)9-17)8-15(18)11-4-6-13(7-5-11)16(19)20/h4-7,9,12H,2-3,8H2,1H3/t12-/m1/s1 |
| InChIKey |
AKNCZANLYDXTBK-GFCCVEGCSA-N |
| SMILES |
C=1(C=CC(=CC1)[N+](=O)[O-])C(=O)C[C@@]1(C(=C(CC1)C)C=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958991 |
