| SpectraBase Spectrum ID |
H6GV7ygnpj |
| Name |
(1RS,2RS,4RS,5SR,8RS)-4-Phenylthio-5-(2-propenyl)-7,7-dimethyl-tricyclo[3.3.0.0(2,8)]octan-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22OS |
| InChI |
InChI=1S/C19H22OS/c1-4-10-19-11-18(2,3)14-13(15(14)19)16(20)17(19)21-12-8-6-5-7-9-12/h4-9,13-15,17H,1,10-11H2,2-3H3 |
| InChIKey |
RIZBYKZJMVQJNY-UHFFFAOYSA-N |
| Molecular Weight |
298.444 g/mol |
| SMILES |
C12C3C(C(C2(CC(C13)(C)C)CC=C)Sc1ccccc1)=O |
| SPLASH |
splash10-0a4j-0950000000-5e2fb8b4b0ba62f4165b |
| Source of Spectrum |
E1-37-3115-8 |
| Synonyms |
4a-allyl-3,3-dimethyl-1-(phenylsulfanyl)hexahydrocyclopropa[cd]pentalen-2(1H)-one |
| Wiley ID |
1518025 |
![(1RS,2RS,4RS,5SR,8RS)-4-Phenylthio-5-(2-propenyl)-7,7-dimethyl-tricyclo[3.3.0.0(2,8)]octan-3-one](/api/spectrum/H6GV7ygnpj/structure.png?h=300&w=458 "(1RS,2RS,4RS,5SR,8RS)-4-Phenylthio-5-(2-propenyl)-7,7-dimethyl-tricyclo[3.3.0.0(2,8)]octan-3-one")
