| SpectraBase Spectrum ID |
B5K5RLUPXso |
| Name |
4-(4-Chlorophenylmethylene)-3-ethyl-3,6-hexanediol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21ClO2 |
| InChI |
InChI=1S/C15H21ClO2/c1-3-15(18,4-2)13(9-10-17)11-12-5-7-14(16)8-6-12/h5-8,11,17-18H,3-4,9-10H2,1-2H3/b13-11+ |
| InChIKey |
BQFBOQSZZCOMRX-ACCUITESSA-N |
| Molecular Weight |
268.784 g/mol |
| SMILES |
OC(\C(CCO)=C/c1ccc(Cl)cc1)(CC)CC |
| SPLASH |
splash10-0a4i-9000000000-533177591da190d9dfd4 |
| Source of Spectrum |
SO-0-957-7 |
| Synonyms |
(3E)-3-(4-chlorobenzylidene)-4-ethyl-1,4-hexanediol
3-(4-Chlorophenylmethylene)-2-ethyl-3,6-hexanediol |
| Wiley ID |
1541689 |
