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9-Phenanthrenemethyl mandelate
SpectraBase Compound ID EUjuC4r34G8
InChI InChI=1S/C23H18O3/c24-22(16-8-2-1-3-9-16)23(25)26-15-18-14-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-14,22,24H,15H2
InChIKey CMRHRWIFNQJPGF-UHFFFAOYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C23H18O3
Exact Mass 342.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pEpCWvNlCi
Name 9-Phenanthrenemethyl mandelate
CAS Registry Number 92174-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18O3
InChI InChI=1S/C23H18O3/c24-22(16-8-2-1-3-9-16)23(25)26-15-18-14-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-14,22,24H,15H2
InChIKey CMRHRWIFNQJPGF-UHFFFAOYSA-N
Molecular Weight 342.394 g/mol
SMILES OC(C(OCc1c2c(c3c(c1)cccc3)cccc2)=O)c1ccccc1
SPLASH splash10-0006-1900000000-b2e585e0d675c79545c3
Source of Spectrum W5-1989-35171-30365
Synonyms 9-Phenanthrylmethyl hydroxy(phenyl)acetate
Wiley ID 1336950