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4-Phenylsulfoxoocta-4-enoic acid ethyl ester
SpectraBase Compound ID KimqgYJ7kKC
InChI InChI=1S/C16H22O3S/c1-3-5-9-15(12-13-16(17)19-4-2)20(18)14-10-7-6-8-11-14/h6-11H,3-5,12-13H2,1-2H3/b15-9-
InChIKey XYAMOTCODGBQLB-DHDCSXOGSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C71farTl5xN
Name 4-Phenylsulfoxoocta-4-enoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-3-5-9-15(12-13-16(17)19-4-2)20(18)14-10-7-6-8-11-14/h6-11H,3-5,12-13H2,1-2H3/b15-9-
InChIKey XYAMOTCODGBQLB-DHDCSXOGSA-N
Molecular Weight 294.409 g/mol
SMILES C(\C(S(=O)c1ccccc1)=C\CCC)CC(=O)OCC
SPLASH splash10-015a-5910000000-f2c68646fdc3d5d0526a
Source of Spectrum AJ-61-3963-11
Synonyms Ethyl (4Z)-4-(phenylsulfinyl)-4-octenoate
Wiley ID 1297103