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Dimethyl 2-(2-(Phenylthio)-2-butenyl)adipate
SpectraBase Compound ID 8o0q3Yh9tdS
InChI InChI=1S/C18H24O4S/c1-4-15(23-16-10-6-5-7-11-16)13-14(18(20)22-3)9-8-12-17(19)21-2/h4-7,10-11,14H,8-9,12-13H2,1-3H3/b15-4+
InChIKey NMBNLKZEAHQNAB-SYZQJQIISA-N
Mol Weight 336.45 g/mol
Molecular Formula C18H24O4S
Exact Mass 336.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7Ct0UQSaZE
Name Dimethyl 2-(2-(Phenylthio)-2-butenyl)adipate
Alternate Name(s) Dimethyl 2-[(2E)-2-(phenylsulfanyl)-2-butenyl]hexanedioate
CAS Registry Number 85335-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4S
InChI InChI=1S/C18H24O4S/c1-4-15(23-16-10-6-5-7-11-16)13-14(18(20)22-3)9-8-12-17(19)21-2/h4-7,10-11,14H,8-9,12-13H2,1-3H3/b15-4+
InChIKey NMBNLKZEAHQNAB-SYZQJQIISA-N
Molecular Weight 336.446 g/mol
SMILES C(C(C\C(Sc1ccccc1)=C/C)CCCC(=O)OC)(=O)OC
SPLASH splash10-0a4l-9600000000-f90c69c1b1301ccc375e
Source of Spectrum J-50-4261-45
Wiley ID 1332293