| SpectraBase Spectrum ID |
HiebBBGtYM |
| Name |
4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzoic acid methyl ester |
| Alternate Name(s) |
Methyl 4-(3-methyl-6,7-dihydro-5H-1,4-dithiepin-2-yl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O2S2 |
| InChI |
InChI=1S/C14H16O2S2/c1-10-13(18-9-3-8-17-10)11-4-6-12(7-5-11)14(15)16-2/h4-7H,3,8-9H2,1-2H3 |
| InChIKey |
SCRVLKFRJVTPOW-UHFFFAOYSA-N |
| Molecular Weight |
280.400 g/mol |
| SMILES |
C(c1ccc(cc1)C=1SCCCSC1C)(=O)OC |
| SPLASH |
splash10-0ab9-7940000000-c59348e1a7905da165ce |
| Source of Spectrum |
J-66-1898-2 |
| Wiley ID |
1534818 |
![4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzoic acid methyl ester](/api/spectrum/HiebBBGtYM/structure.png?h=300&w=458 "4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzoic acid methyl ester")
