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1-Cyclopropene-1-carboxylic acid, 3-(hydroxymethyl)-3-methyl-2-phenyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID BtdHVTEWgzc
InChI InChI=1S/C16H20O3/c1-15(2,3)19-14(18)13-12(16(13,4)10-17)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3
InChIKey GQGQTSVSRGTWLI-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95NGN98cec4
Name 1-Cyclopropene-1-carboxylic acid, 3-(hydroxymethyl)-3-methyl-2-phenyl-, 1,1-dimethylethyl ester
CAS Registry Number 94559-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-15(2,3)19-14(18)13-12(16(13,4)10-17)11-8-6-5-7-9-11/h5-9,17H,10H2,1-4H3
InChIKey GQGQTSVSRGTWLI-UHFFFAOYSA-N
Molecular Weight 260.333 g/mol
SMILES OCC1(C(=C1c1ccccc1)C(OC(C)(C)C)=O)C
SPLASH splash10-0pdi-7950000000-1785eba8e790a1a83ffc
Source of Spectrum K-117-3500-0
Synonyms tert-Butyl 3-(hydroxymethyl)-3-methyl-2-phenyl-1-cyclopropene-1-carboxylate tert-Butylester of 3-(hydroxymethyl)-3-methyl-2-phenyl-1-cyclopropene-1-carboxylic acid
Wiley ID 1264008