| SpectraBase Spectrum ID |
CXdWovZ9t1J |
| Name |
(Z)-{5-[(methylsulfanyl)carbonyl]-6-pentanoylbicyclo[2.2.1]hept-2-en-7-ylidene}methyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O4S |
| InChI |
InChI=1S/C17H22O4S/c1-4-5-6-14(19)15-11-7-8-12(16(15)17(20)22-3)13(11)9-21-10(2)18/h7-9,11-12,15-16H,4-6H2,1-3H3/b13-9-/t11-,12+,15+,16-/m0/s1 |
| InChIKey |
ZKJKPJZJEJVEEN-LCYFTJDESA-N |
| Molecular Weight |
322.419 g/mol |
| SMILES |
[C@@]12(\C([C@@]([C@@]([C@]2(C(=O)SC)[H])(C(=O)CCCC)[H])(C=C1)[H])=C/OC(=O)C)[H] |
| SPLASH |
splash10-004i-0091000000-c72e2439721b552233c9 |
| Source of Spectrum |
F-53-17662-12 |
| Synonyms |
5-(Butylcarbonyl)-6-methyl-thio-carbonyl-7-acetoxymethylenebicyclo[2.2.1]hept-2-ene
6-(Butylcarbonyl)-6-methylthiocarbonyl-7-acetoxymethylenecyclo[2.2.1]hept-2-ene |
| Wiley ID |
805026 |
![(Z)-{5-[(methylsulfanyl)carbonyl]-6-pentanoylbicyclo[2.2.1]hept-2-en-7-ylidene}methyl acetate](/api/spectrum/CXdWovZ9t1J/structure.png?h=300&w=458 "(Z)-{5-[(methylsulfanyl)carbonyl]-6-pentanoylbicyclo[2.2.1]hept-2-en-7-ylidene}methyl acetate")
