SpectraBase Spectrum ID |
1JoIsmzduq0 |
Name |
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, methyl ester, [1.alpha.,3.beta.(Z)]-(.+-.)- |
CAS Registry Number |
67530-24-9 |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H18O4 |
InChI |
InChI=1S/C12H18O4/c1-7(10(13)15-4)6-8-9(11(14)16-5)12(8,2)3/h6,8-9H,1-5H3/b7-6-/t8-,9+/m0/s1 |
InChIKey |
YYRMJZXCARUTDN-XFPDIIEBSA-N |
Molecular Weight |
226.272 g/mol |
SMILES |
C1([C@@](\C=C/(C(=O)OC)C)([C@@]1(C(=O)OC)[H])[H])(C)C |
SPLASH |
splash10-0a4i-0900000000-7db3bc2c4d9258af81fa |
Source of Spectrum |
K-111-2221-0 |
Synonyms |
methyl (1S,3S)-3-[(1Z)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate
Methyl ester of 3-(2-z-methoxycarbonyl-1-propenyl)-2,2-dimethyl-(1,3-e)-cyclopropancarboxylic acid |
Wiley ID |
1227233 |