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1-[2-(2.4,6-Triisopropylphenyl)sulfinyl]phenyl]-3-buten-1-one
SpectraBase Compound ID HCM2B3dvDGu
InChI InChI=1S/C25H32O2S/c1-8-11-23(26)20-12-9-10-13-24(20)28(27)25-21(17(4)5)14-19(16(2)3)15-22(25)18(6)7/h8-10,12-18H,1,11H2,2-7H3
InChIKey MRWMBMUDOYSNKG-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C25H32O2S
Exact Mass 396.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Flr5z7hZylW
Name 1-[2-(2.4,6-Triisopropylphenyl)sulfinyl]phenyl]-3-buten-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O2S
InChI InChI=1S/C25H32O2S/c1-8-11-23(26)20-12-9-10-13-24(20)28(27)25-21(17(4)5)14-19(16(2)3)15-22(25)18(6)7/h8-10,12-18H,1,11H2,2-7H3
InChIKey MRWMBMUDOYSNKG-UHFFFAOYSA-N
Molecular Weight 396.589 g/mol
SMILES c1(S(c2c(C(=O)CC=C)cccc2)=O)c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-0a4i-0019000000-a0fcfe3ac567f099d341
Source of Spectrum KC-57-8476-14
Wiley ID 1626029