| SpectraBase Spectrum ID |
1CrQsD7CSm |
| Name |
4-Oxo-3-phenylsulfanylmethylhexahydropentalene-1,1-dicarboxylic acid dimethyl ester |
| Alternate Name(s) |
(3R,3aS,6aR)-dimethyl 4-oxo-3-((phenylthio)methyl)hexahydropentalene-1,1(2H)-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22O5S |
| InChI |
InChI=1S/C19H22O5S/c1-23-17(21)19(18(22)24-2)10-12(16-14(19)8-9-15(16)20)11-25-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t12-,14+,16+/m0/s1 |
| InChIKey |
YLJFUTZHOFWGNU-JGGQBBKZSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
362.440 g/mol |
| SMILES |
C1(C[C@]([C@]2(C(CC[C@@]12[H])=O)[H])(CSc1ccccc1)[H])(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-0006-7925000000-a680540f4a121e1d3431 |
| Source of Spectrum |
ASC-347-1587/SM16-11a |
| Wiley ID |
1767726 |
