| SpectraBase Spectrum ID |
CnkK83ETW7J |
| Name |
6-(Isopropylcarbonyl)-7-formyl-5-(methylthiocarbonyl)bicyclo[2.2.1]hept-2-ene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O3S |
| InChI |
InChI=1S/C14H18O3S/c1-7(2)13(16)11-8-4-5-9(10(8)6-15)12(11)14(17)18-3/h4-12H,1-3H3/t8-,9+,10?,11-,12-/m0/s1 |
| InChIKey |
MZHVZWVKBAHDMC-UHFFFAOYSA-N |
| Molecular Weight |
266.355 g/mol |
| SMILES |
[C@]1([C@@]2(C(C=O)[C@]([C@@]1(C(=O)SC)[H])(C=C2)[H])[H])(C(=O)C(C)C)[H] |
| SPLASH |
splash10-014i-0090000000-7876ca65894ea0ab2ead |
| Source of Spectrum |
F-53-17666-19 |
| Synonyms |
endo-6-(Isopropylcarbonyl)-7-formyl-5-(methylthiocarbonyl)bicyclo[2.2.1]hept-2-ene
S-methyl 7-formyl-3-isobutyrylbicyclo[2.2.1]hept-5-ene-2-carbothioate |
| Wiley ID |
805015 |
![6-(Isopropylcarbonyl)-7-formyl-5-(methylthiocarbonyl)bicyclo[2.2.1]hept-2-ene](/api/spectrum/CnkK83ETW7J/structure.png?h=300&w=458 "6-(Isopropylcarbonyl)-7-formyl-5-(methylthiocarbonyl)bicyclo[2.2.1]hept-2-ene")
