| SpectraBase Spectrum ID |
4VkW9tcGp9F |
| Name |
4-Oxo-3-phenylsulfanylmethyloctahydroazulene-1,1-dicarboxylic acid dimethyl ester |
| Alternate Name(s) |
Dimethyl 4-oxo-3-((phenylthio)methyl)octahydroazulene-1,1(2H)-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O5S |
| InChI |
InChI=1S/C21H26O5S/c1-25-19(23)21(20(24)26-2)12-14(13-27-15-8-4-3-5-9-15)18-16(21)10-6-7-11-17(18)22/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3 |
| InChIKey |
QFMCWZQYUJXXRQ-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/adsc.200505211 |
| Molecular Weight |
390.494 g/mol |
| SMILES |
C1(CC(C2C(CCCCC12)=O)CSc1ccccc1)(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-022c-8933000000-62cf0b577299a88935f0 |
| Source of Spectrum |
ASC-347-1587/SM17-11c |
| Wiley ID |
1767728 |
