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5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid
SpectraBase Compound ID GZXhAtTHEOC
InChI InChI=1S/C24H27NO3/c1-15-10-12-19(13-11-15)25-20-14-24(4,28)23(17(3)27)22(21(20)16(2)26)18-8-6-5-7-9-18/h5-13,22-23,25,28H,14H2,1-4H3
InChIKey JMKJZHKMDUEINT-UHFFFAOYSA-N
Mol Weight 377.48 g/mol
Molecular Formula C24H27NO3
Exact Mass 377.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W3pRPZ4hoN
Name 5-Acetyl-2-methyl-6-phenyl-4-(p-toluidino)salicylic acid
CAS Registry Number 161265-86-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO3
InChI InChI=1S/C24H27NO3/c1-15-10-12-19(13-11-15)25-20-14-24(4,28)23(17(3)27)22(21(20)16(2)26)18-8-6-5-7-9-18/h5-13,22-23,25,28H,14H2,1-4H3
InChIKey JMKJZHKMDUEINT-UHFFFAOYSA-N
Molecular Weight 377.484 g/mol
SMILES OC1(C(C(C(=C(C1)Nc1ccc(C)cc1)C(=O)C)c1ccccc1)C(=O)C)C
SPLASH splash10-0006-9443000000-298aa0058aa3e25e6f2f
Synonyms 1-[3-acetyl-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenylcyclohex-3-en-1-yl]ethanone 1,1'-{6-hydroxy-6-methyl-4-[(4-methylphenyl)amino]-2-phenylcyclohex-3-ene-1,3-diyl}diethanone
Wiley ID 1468795