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Cyclopropanecarboxylic acid, 1-chloro-2,2-dimethyl-3-phenyl-, 1,1-dimethylethyl ester, trans-
SpectraBase Compound ID 3lN2vcg7faV
InChI InChI=1S/C16H21ClO2/c1-14(2,3)19-13(18)16(17)12(15(16,4)5)11-9-7-6-8-10-11/h6-10,12H,1-5H3/t12-,16+/m0/s1
InChIKey FIGULGSZBMPXRL-BLLLJJGKSA-N
Mol Weight 280.8 g/mol
Molecular Formula C16H21ClO2
Exact Mass 280.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nTzLsQxGbt
Name Cyclopropanecarboxylic acid, 1-chloro-2,2-dimethyl-3-phenyl-, 1,1-dimethylethyl ester, trans-
CAS Registry Number 69017-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClO2
InChI InChI=1S/C16H21ClO2/c1-14(2,3)19-13(18)16(17)12(15(16,4)5)11-9-7-6-8-10-11/h6-10,12H,1-5H3/t12-,16+/m0/s1
InChIKey FIGULGSZBMPXRL-BLLLJJGKSA-N
Molecular Weight 280.795 g/mol
SMILES [C@]1(C(C)(C)[C@@]1(c1ccccc1)[H])(C(OC(C)(C)C)=O)Cl
SPLASH splash10-05i9-0290000000-2125e7d0f863795ab537
Source of Spectrum K-111-3887-0
Synonyms tert-Butyl (1S,3S)-1-chloro-2,2-dimethyl-3-phenylcyclopropanecarboxylate TertbUtylester of 1-chloro-2,2-dimethyl-3-phenyl-1R-cyclopropancarboxylic acid
Wiley ID 1283916