| SpectraBase Spectrum ID |
ZlW9NW7C9P |
| Name |
Trans-4(S)-hydroxy-1-(4-nitrophenyl)pent-1-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-8(13)11(14)7-4-9-2-5-10(6-3-9)12(15)16/h2-8,13H,1H3/b7-4+/t8-/m0/s1 |
| InChIKey |
PHEBOWRUBRARCH-IPWDFOCMSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C(\C=C\C=1C=CC(=CC1)[N+](=O)[O-])([C@](C)(O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900587 |
