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1-Cyclopropene-1-carboxylic acid, 3-methyl-2-phenyl-3-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-, 1,1-dimethylethyl ester, (R*,S*)-
SpectraBase Compound ID JcNq9VjrtEf
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
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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