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TRANS-(+/-)-[2-(TERT.-BUTYLCARBONYL)-3-PHENYL-CYCLOPROPYL]-METHYL-BENZOATE
SpectraBase Compound ID DpiXqBXwRAT
InChI InChI=1S/C22H24O4/c1-22(2,3)26-21(24)19-17(18(19)15-10-6-4-7-11-15)14-25-20(23)16-12-8-5-9-13-16/h4-13,17-19H,14H2,1-3H3/t17-,18-,19+/m0/s1
InChIKey NBRGQSWARACQDT-GBESFXJTSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xx7YO5REDm
Name [(1S,2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenyl-cyclopropyl]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-22(2,3)26-21(24)19-17(18(19)15-10-6-4-7-11-15)14-25-20(23)16-12-8-5-9-13-16/h4-13,17-19H,14H2,1-3H3/t17-,18-,19+/m0/s1
InChIKey NBRGQSWARACQDT-GBESFXJTSA-N
Molecular Weight 352.430 g/mol
SMILES [C@@]1([C@](COC(=O)c2ccccc2)([H])[C@@]1(c1ccccc1)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-004j-0390000000-f9a4529ffe1d6d00b6b6
Source of Spectrum J-66-7966-21
Synonyms benzoic acid [(1S,2S,3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-phenylcyclopropyl]methyl ester [(1S,2S,3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylcyclopropyl]methyl benzoate [(1S,2S,3S)-2-tert-butoxycarbonyl-3-phenyl-cyclopropyl]methyl benzoate
Wiley ID 1568554