| SpectraBase Spectrum ID |
6uHvwFpiszh |
| Name |
4-[(1S,2R,4R)-7,7-Dimethyl-1-methylsulfanylmethylbicyclo[2.2.1]hept-2-ylsulfanyl]tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28OS2 |
| InChI |
InChI=1S/C21H28OS2/c1-20(2)14-6-7-21(20,11-23-3)17(9-14)24-16-10-15-12-4-5-13(8-12)18(15)19(16)22/h4-5,10,12-15,17-18H,6-9,11H2,1-3H3/t12?,13?,14-,15?,17-,18?,21+/m1/s1 |
| InChIKey |
ZMGHUXWVHBWWIW-LUOHPICNSA-N |
| Molecular Weight |
360.574 g/mol |
| SMILES |
C12C3C(C(=CC3C(C=C1)C2)S[C@]1([C@]2(CC[C@](C1)(C2(C)C)[H])CSC)[H])=O |
| SPLASH |
splash10-001i-0902000000-c4cdf19aa4ee50ed2b4f |
| Source of Spectrum |
J-66-6408-11 |
| Wiley ID |
1535921 |
![4-[(1S,2R,4R)-7,7-Dimethyl-1-methylsulfanylmethylbicyclo[2.2.1]hept-2-ylsulfanyl]tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one](/api/spectrum/6uHvwFpiszh/structure.png?h=300&w=458 "4-[(1S,2R,4R)-7,7-Dimethyl-1-methylsulfanylmethylbicyclo[2.2.1]hept-2-ylsulfanyl]tricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one")
