| SpectraBase Spectrum ID |
4lPZwQKQV3f |
| Name |
1-Hydroxy-1-(4-nitrophenyl)methyl]-4-hexen-3-one |
| Alternate Name(s) |
(E)-1-hydroxy-1-(4-nitrophenyl)-4-hexen-3-one
(E)-1-(4-nitrophenyl)-1-oxidanyl-hex-4-en-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13NO4 |
| InChI |
InChI=1S/C12H13NO4/c1-2-3-11(14)8-12(15)9-4-6-10(7-5-9)13(16)17/h2-7,12,15H,8H2,1H3/b3-2+ |
| InChIKey |
WBRZGWOTBZMVHY-NSCUHMNNSA-N |
| Molecular Weight |
235.239 g/mol |
| SMILES |
OC(CC(\C=C\C)=O)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-014i-9010000000-f9ce48a7a105646ffc7a |
| Source of Spectrum |
F-54-11822-36 |
| Wiley ID |
809064 |
![1-Hydroxy-1-(4-nitrophenyl)methyl]-4-hexen-3-one](/api/spectrum/4lPZwQKQV3f/structure.png?h=300&w=458 "1-Hydroxy-1-(4-nitrophenyl)methyl]-4-hexen-3-one")
