| SpectraBase Spectrum ID |
JFF0rMA66iE |
| Name |
3-Phenylsulfanylmethylhexahydropentalene-1,1-dicarboxylic acid dimethyl ester |
| Alternate Name(s) |
Dimethyl 3-((phenylthio)methyl)hexahydropentalene-1,1(2H)-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24O4S |
| InChI |
InChI=1S/C19H24O4S/c1-22-17(20)19(18(21)23-2)11-13(15-9-6-10-16(15)19)12-24-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3 |
| InChIKey |
ZJFCDDOZFIVRFN-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
348.457 g/mol |
| SMILES |
C1(CC(C2CCCC12)CSc1ccccc1)(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-02di-3900000000-6d9ea6819bf8af91ad24 |
| Source of Spectrum |
ASC-347-1587/SM19-13a |
| Wiley ID |
1767731 |
