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Propanedioic acid, [1-[[(4-methylphenyl)sulfonyl]methyl]nonylidene]-, dimethyl ester
SpectraBase Compound ID 9i86cemcBV4
InChI InChI=1S/C22H32O6S/c1-5-6-7-8-9-10-11-18(20(21(23)27-3)22(24)28-4)16-29(25,26)19-14-12-17(2)13-15-19/h12-15H,5-11,16H2,1-4H3
InChIKey UVDDRRMDKSRRTA-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C22H32O6S
Exact Mass 424.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IudZcXSEG8C
Name Propanedioic acid, [1-[[(4-methylphenyl)sulfonyl]methyl]nonylidene]-, dimethyl ester
Alternate Name(s) Dimethyl 2-(1-{[(4-methylphenyl)sulfonyl]methyl}nonylidene)malonate
CAS Registry Number 108895-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O6S
InChI InChI=1S/C22H32O6S/c1-5-6-7-8-9-10-11-18(20(21(23)27-3)22(24)28-4)16-29(25,26)19-14-12-17(2)13-15-19/h12-15H,5-11,16H2,1-4H3
InChIKey UVDDRRMDKSRRTA-UHFFFAOYSA-N
Molecular Weight 424.552 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(=C(C(=O)OC)C(=O)OC)CCCCCCCC
SPLASH splash10-0006-9030000000-84bd9b1c25f20f24b62f
Source of Spectrum J-52-4268-6
Wiley ID 1379228