SpectraBase Spectrum ID |
tZgrKMFbLq |
Name |
1-Cyclopropene-1-carboxylic acid, 3-methyl-2-phenyl-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-, 1,1-dimethylethyl ester, (R*,S*)- |
CAS Registry Number |
94558-99-3 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H28O4 |
InChI |
InChI=1S/C21H28O4/c1-20(2,3)25-19(22)18-17(15-10-6-5-7-11-15)21(18,4)14-24-16-12-8-9-13-23-16/h5-7,10-11,16H,8-9,12-14H2,1-4H3/t16-,21+/m1/s1 |
InChIKey |
CCCIAMUWQYZHCO-IERDGZPVSA-N |
Molecular Weight |
344.451 g/mol |
SMILES |
C=1([C@](CO[C@]2(OCCCC2)[H])(C)C1c1ccccc1)C(OC(C)(C)C)=O |
SPLASH |
splash10-0f8c-8970000000-6f070f0d20e6e57e2752 |
Source of Spectrum |
K-117-3500-0 |
Synonyms |
t-Butyl ester of 3-methyl-2-phenyl-3-(tetrahydro-2-pyranyloxymethyl)-1-cyclopropene-1-carboxylic acid
tert-Butyl (3S)-3-methyl-2-phenyl-3-{[(2R)-tetrahydro-2H-pyran-2-yloxy]methyl}-1-cyclopropene-1-carboxylate |
Wiley ID |
1338115 |