| SpectraBase Spectrum ID |
I8qZwZsTEFD |
| Name |
1-[3-((E)-4-Chloro-but-2-enyl)-6-hydroxy-2,4-dimethyl-phenyl]-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.091707485 u |
| Formula |
C14H17ClO2 |
| InChI |
InChI=1S/C14H17ClO2/c1-9-8-13(17)14(11(3)16)10(2)12(9)6-4-5-7-15/h4-5,8,17H,6-7H2,1-3H3/b5-4+ |
| InChIKey |
LTRBSNYUVTXNJZ-SNAWJCMRSA-N |
| Molecular Weight |
252.741 g/mol |
| SMILES |
C=1(C(=C(C\C=C\CCl)C(=CC1O)C)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870003 |
![1-[3-((E)-4-Chloro-but-2-enyl)-6-hydroxy-2,4-dimethyl-phenyl]-ethanone](/api/spectrum/I8qZwZsTEFD/structure.png?h=300&w=458 "1-[3-((E)-4-Chloro-but-2-enyl)-6-hydroxy-2,4-dimethyl-phenyl]-ethanone")
