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4-[2'-(3''-Methyl-2''-butenyloxy)phenyl]-3-(phenylsulfinyl)-3-buten-2-one
SpectraBase Compound ID BWA9SeuTq3M
InChI InChI=1S/C21H22O3S/c1-16(2)13-14-24-20-12-8-7-9-18(20)15-21(17(3)22)25(23)19-10-5-4-6-11-19/h4-13,15H,14H2,1-3H3/b21-15+
InChIKey AZGYOGLJEHLLEK-RCCKNPSSSA-N
Mol Weight 354.46 g/mol
Molecular Formula C21H22O3S
Exact Mass 354.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fm8OeGpabHI
Name 4-[2'-(3''-Methyl-2''-butenyloxy)phenyl]-3-(phenylsulfinyl)-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3S
InChI InChI=1S/C21H22O3S/c1-16(2)13-14-24-20-12-8-7-9-18(20)15-21(17(3)22)25(23)19-10-5-4-6-11-19/h4-13,15H,14H2,1-3H3/b21-15+
InChIKey AZGYOGLJEHLLEK-RCCKNPSSSA-N
Molecular Weight 354.464 g/mol
SMILES c1(S(\C(=C\c2c(OCC=C(C)C)cccc2)C(=O)C)=O)ccccc1
SPLASH splash10-014i-9200000000-031eaed2e19887fc7a4a
Source of Spectrum AH-132-397-9
Synonyms (3E)-4-{2-[(3-methyl-2-butenyl)oxy]phenyl}-3-(phenylsulfinyl)-3-buten-2-one
Wiley ID 849912