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3,3'-Dimethyl[1,1'-biphenyl]-4-yl 2-iodobenzoate
SpectraBase Compound ID FpQ7akGVmIx
InChI InChI=1S/C21H17IO2/c1-14-6-5-7-16(12-14)17-10-11-20(15(2)13-17)24-21(23)18-8-3-4-9-19(18)22/h3-13H,1-2H3
InChIKey GCEXAQPUXDLMTO-UHFFFAOYSA-N
Mol Weight 428.27 g/mol
Molecular Formula C21H17IO2
Exact Mass 428.027325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BcMQDC1rjz
Name 3,3'-Dimethyl[1,1'-biphenyl]-4-yl 2-iodobenzoate
CAS Registry Number 312759-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17IO2
InChI InChI=1S/C21H17IO2/c1-14-6-5-7-16(12-14)17-10-11-20(15(2)13-17)24-21(23)18-8-3-4-9-19(18)22/h3-13H,1-2H3
InChIKey GCEXAQPUXDLMTO-UHFFFAOYSA-N
Molecular Weight 428.269 g/mol
SMILES c1(-c2cc(ccc2)C)cc(c(OC(c2c(cccc2)I)=O)cc1)C
SPLASH splash10-001i-0390100000-04d95eea80caad8d3da7
Synonyms 2-Iodo-benzoic acid 3,3'-dimethyl-biphenyl-4-yl ester 2-iodobenzoic acid [2-methyl-4-(3-methylphenyl)phenyl] ester [2-methyl-4-(3-methylphenyl)phenyl] 2-iodobenzoate [2-methyl-4-(m-tolyl)phenyl] 2-iodobenzoate [2-methyl-4-(3-methylphenyl)phenyl] 2-iodanylbenzoate
Wiley ID 1459168