| SpectraBase Spectrum ID |
9rfGOZ8BEH |
| Name |
1-Heptanone, 7-chloro-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans- |
| CAS Registry Number |
129296-22-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27ClOS2 |
| InChI |
InChI=1S/C18H27ClOS2/c1-18(21-13-8-14-22-18)16-10-6-5-9-15(16)17(20)11-4-2-3-7-12-19/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3/t15-,16-/m0/s1 |
| InChIKey |
BWMBMEJMOPUVNH-HOTGVXAUSA-N |
| Molecular Weight |
358.986 g/mol |
| SMILES |
C1([C@@]2([C@@](C(=O)CCCCCCCl)(C=CC=C2)[H])[H])(SCCCS1)C |
| SPLASH |
splash10-001i-0910000000-0de7189314947eba7034 |
| Source of Spectrum |
H-73-402-27 |
| Synonyms |
7-Chloro-1-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-1-heptanone
7-Chloro-1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]heptan-1-one |
| Wiley ID |
1346926 |
![1-Heptanone, 7-chloro-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-](/api/spectrum/9rfGOZ8BEH/structure.png?h=300&w=458 "1-Heptanone, 7-chloro-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-")
