| SpectraBase Spectrum ID |
BnG7lcDw507 |
| Name |
1-[5-Nitro-2-[[(2S)-2-oxiranyl]methoxy]phenyl]ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.063722453 u |
| Formula |
C11H11NO5 |
| InChI |
InChI=1S/C11H11NO5/c1-7(13)10-4-8(12(14)15)2-3-11(10)17-6-9-5-16-9/h2-4,9H,5-6H2,1H3/t9-/m0/s1 |
| InChIKey |
IWRGQRMIHJWMIH-VIFPVBQESA-N |
| Molecular Weight |
237.211 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(C(=O)C)C(=CC1)OC[C@]1(OC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887692 |
![1-[5-nitro-2-[[(2S)-2-oxiranyl]methoxy]phenyl]ethanone](/api/spectrum/BnG7lcDw507/structure.png?h=300&w=458 "1-[5-nitro-2-[[(2S)-2-oxiranyl]methoxy]phenyl]ethanone")
