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Dimethyl 5-tert-butyl-4-diphenylmethylenethiophene-2,3-dicarboxylate
SpectraBase Compound ID LF7TRFXJlLD
InChI InChI=1S/C25H26O4S/c1-25(2,3)22-19(20(23(26)28-4)21(30-22)24(27)29-5)18(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,22H,1-5H3
InChIKey VZTVBRWPRACVII-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C25H26O4S
Exact Mass 422.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZTAoH4xBKR
Name Dimethyl 5-tert-butyl-4-diphenylmethylenethiophene-2,3-dicarboxylate
Alternate Name(s) Dimethyl 5-tert-butyl-4-(diphenylmethylene)-4,5-dihydro-2,3-thiophenedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O4S
InChI InChI=1S/C25H26O4S/c1-25(2,3)22-19(20(23(26)28-4)21(30-22)24(27)29-5)18(16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15,22H,1-5H3
InChIKey VZTVBRWPRACVII-UHFFFAOYSA-N
Molecular Weight 422.539 g/mol
SMILES C=1(C(C(C(C)(C)C)SC1C(=O)OC)=C(c1ccccc1)c1ccccc1)C(=O)OC
SPLASH splash10-0006-0903100000-3b1d5b84ecffb66e5266
Source of Spectrum AT-32-4576-3
Wiley ID 835970