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Benzoic acid, 3-chloro-, 1-(1-hydroxy-1-methylethyl)-3-methyl-2-butenyl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 3-chloro-, 1-(1-hydroxy-1-methylethyl)-3-methyl-2-butenyl ester
SpectraBase Compound ID KJxgJIgIIEP
InChI InChI=1S/C15H19ClO3/c1-10(2)8-13(15(3,4)18)19-14(17)11-6-5-7-12(16)9-11/h5-9,13,18H,1-4H3
InChIKey ZNKOGPRSBNDYTN-UHFFFAOYSA-N
Mol Weight 282.77 g/mol
Molecular Formula C15H19ClO3
Exact Mass 282.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJ4hPtxpkkJ
Name Benzoic acid, 3-chloro-, 1-(1-hydroxy-1-methylethyl)-3-methyl-2-butenyl ester
Alternate Name(s) 1-(1-hydroxy-1-methylethyl)-3-methyl-2-butenyl 3-chlorobenzoate 3-(m-chlorbenzoyloxy)-2,5-dimethyl-4-hexen-2-ol
CAS Registry Number 96597-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19ClO3
InChI InChI=1S/C15H19ClO3/c1-10(2)8-13(15(3,4)18)19-14(17)11-6-5-7-12(16)9-11/h5-9,13,18H,1-4H3
InChIKey ZNKOGPRSBNDYTN-UHFFFAOYSA-N
Molecular Weight 282.767 g/mol
SMILES OC(C(OC(c1cc(Cl)ccc1)=O)C=C(C)C)(C)C
SPLASH splash10-014r-7900000000-da403c75fcac790f1d6e
Source of Spectrum K-118-1269-4
Wiley ID 1285749