| SpectraBase Spectrum ID |
4phjccbC4ml |
| Name |
3-Phenylsulfanylmethyloctahydroazulene-1,1-dicarboxylic acid dimethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4S |
| InChI |
InChI=1S/C21H28O4S/c1-24-19(22)21(20(23)25-2)13-15(14-26-16-9-5-3-6-10-16)17-11-7-4-8-12-18(17)21/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3 |
| InChIKey |
YGNMMMFSKKHPFS-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
376.511 g/mol |
| SMILES |
C1(CC(C2CCCCCC12)CSc1ccccc1)(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-052b-6920000000-f76eb3299fc6c81bb0ad |
| Source of Spectrum |
ASC-347-1587/SM20-13c_dia_2 |
| Synonyms |
Dimethyl 3-((phenylthio)methyl)octahydroazulene-1,1(2H)-dicarboxylate |
| Wiley ID |
1767733 |
