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1-(4-[2,2-Bis(3-methyl-4-propionylbenzyl)-3-(3-methyl-4-propionylphenyl)propyl]-2-methylphenyl)-1-propanone
SpectraBase Compound ID AykT4K988yP
InChI InChI=1S/C45H52O4/c1-9-41(46)37-17-13-33(21-29(37)5)25-45(26-34-14-18-38(30(6)22-34)42(47)10-2,27-35-15-19-39(31(7)23-35)43(48)11-3)28-36-16-20-40(32(8)24-36)44(49)12-4/h13-24H,9-12,25-28H2,1-8H3
InChIKey NLEIFGUDVUECNP-UHFFFAOYSA-N
Mol Weight 656.9 g/mol
Molecular Formula C45H52O4
Exact Mass 656.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ofj0Fs8ZOQ
Name 1-(4-[2,2-Bis(3-methyl-4-propionylbenzyl)-3-(3-methyl-4-propionylphenyl)propyl]-2-methylphenyl)-1-propanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H52O4
InChI InChI=1S/C45H52O4/c1-9-41(46)37-17-13-33(21-29(37)5)25-45(26-34-14-18-38(30(6)22-34)42(47)10-2,27-35-15-19-39(31(7)23-35)43(48)11-3)28-36-16-20-40(32(8)24-36)44(49)12-4/h13-24H,9-12,25-28H2,1-8H3
InChIKey NLEIFGUDVUECNP-UHFFFAOYSA-N
Molecular Weight 656.907 g/mol
SMILES Cc1cc(CC(Cc2ccc(c(c2)C)C(=O)CC)(Cc2cc(c(cc2)C(=O)CC)C)Cc2ccc(c(c2)C)C(=O)CC)ccc1C(=O)CC
SPLASH splash10-0bu1-3912703000-0b5c462719cade50fbc7
Synonyms 1-[2-methyl-4-[3-(3-methyl-4-propanoyl-phenyl)-2,2-bis[(3-methyl-4-propanoyl-phenyl)methyl]propyl]phenyl]propan-1-one 1-[2-methyl-4-[3-[3-methyl-4-(1-oxopropyl)phenyl]-2,2-bis[[3-methyl-4-(1-oxopropyl)phenyl]methyl]propyl]phenyl]-1-propanone 1-[2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-2,2-bis[(3-methyl-4-propanoylphenyl)methyl]propyl]phenyl]propan-1-one
Wiley ID 1477079