| SpectraBase Spectrum ID |
I8YiKHotCeT |
| Name |
6-Acetyl-5-methylthiocarbonyl-7-acetoxymethylenebicyclo[2.2.1]hept-2-ene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16O4S |
| InChI |
InChI=1S/C14H16O4S/c1-7(15)12-9-4-5-10(13(12)14(17)19-3)11(9)6-18-8(2)16/h4-6,9-10,12-13H,1-3H3/b11-6-/t9-,10+,12-,13-/m0/s1 |
| InChIKey |
QIVRFEJRMSAJJS-RYCFRJKLSA-N |
| Molecular Weight |
280.338 g/mol |
| SMILES |
[C@@]12(\C([C@@]([C@@]([C@]2(C(=O)SC)[H])(C(=O)C)[H])(C=C1)[H])=C/OC(=O)C)[H] |
| SPLASH |
splash10-001i-0090000000-e31e8b2cbf3580826493 |
| Source of Spectrum |
F-53-17660-12 |
| Synonyms |
(Z)-{5-acetyl-6-[(methylsulfanyl)carbonyl]bicyclo[2.2.1]hept-2-en-7-ylidene}methyl acetate
6-Acetyl-5-methylthiocarbonyl-7-acetoxymethylenecyclo[2.2.1]hept-2-ene |
| Wiley ID |
805030 |
![6-Acetyl-5-methylthiocarbonyl-7-acetoxymethylenebicyclo[2.2.1]hept-2-ene](/api/spectrum/I8YiKHotCeT/structure.png?h=300&w=458 "6-Acetyl-5-methylthiocarbonyl-7-acetoxymethylenebicyclo[2.2.1]hept-2-ene")
