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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 7jaDjOTEh3h
Name 1-{4-[2,2-BIS(3-METHYL-4-PROPIONYLBENZYL)-3-(3-METHYL-4-PROPIONYLPHENYL)PROPYL]-2-METHYLPHENYL}PROPAN-1-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 656.3852
SMILES c1(CC(Cc2cc(C)c(C(CC)=O)cc2)(Cc2ccc(C(CC)=O)c(C)c2)Cc2ccc(C(CC)=O)c(C)c2)cc(C)c(C(CC)=O)cc1
SPLASH splash10-0bu1-3912703000-9dc5983a1267a28b6ece
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany