| SpectraBase Spectrum ID |
4jZalHp5zMc |
| Name |
2-(6-Chloro-3-methylhex-2-enyl)-3,5,6-trimethyl-[1,4]benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.123007614 u |
| Formula |
C16H21ClO2 |
| InChI |
InChI=1S/C16H21ClO2/c1-10(6-5-9-17)7-8-14-13(4)15(18)11(2)12(3)16(14)19/h7H,5-6,8-9H2,1-4H3/b10-7+ |
| InChIKey |
CSLDAUWGMJKZBW-JXMROGBWSA-N |
| SMILES |
C1(=C(C(=O)C(=C(C1=O)C)C)C)C\C=C\(CCCCl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946917 |
![2-(6-Chloro-3-methylhex-2-enyl)-3,5,6-trimethyl-[1,4]benzoquinone](/api/spectrum/4jZalHp5zMc/structure.png?h=300&w=458 "2-(6-Chloro-3-methylhex-2-enyl)-3,5,6-trimethyl-[1,4]benzoquinone")
