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2,3-Bis(methoxycarbonyl)-4-ethoxy-5(Z)-[[1,2-bis(methoxycarbonyl)vinyl]thio]-7,7-dimethyl-7H-benzo[b]thiopyran
SpectraBase Compound ID EWsJlw7ROUL
InChI InChI=1S/C23H26O9S2/c1-8-32-18-16-13(33-12(20(25)29-5)9-15(24)28-4)10-23(2,3)11-14(16)34-19(22(27)31-7)17(18)21(26)30-6/h9-11H,8H2,1-7H3/b12-9-
InChIKey AJFPINVNTUUERZ-XFXZXTDPSA-N
Mol Weight 510.57 g/mol
Molecular Formula C23H26O9S2
Exact Mass 510.101825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHmQSO675po
Name 2,3-Bis(methoxycarbonyl)-4-ethoxy-5(Z)-[[1,2-bis(methoxycarbonyl)vinyl]thio]-7,7-dimethyl-7H-benzo[b]thiopyran
Alternate Name(s) Dimethyl 4-ethoxy-5-{[(1Z)-3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl]sulfanyl}-7,7-dimethyl-7H-1-benzothiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O9S2
InChI InChI=1S/C23H26O9S2/c1-8-32-18-16-13(33-12(20(25)29-5)9-15(24)28-4)10-23(2,3)11-14(16)34-19(22(27)31-7)17(18)21(26)30-6/h9-11H,8H2,1-7H3/b12-9-
InChIKey AJFPINVNTUUERZ-XFXZXTDPSA-N
Molecular Weight 510.572 g/mol
SMILES C1(=C(SC=2C(=C1OCC)C(S\C(=C/C(=O)OC)C(=O)OC)=CC(C)(C)C2)C(=O)OC)C(=O)OC
SPLASH splash10-0002-0102920000-17e2e8adc4a7c549e3f5
Source of Spectrum J-56-4925-15
Wiley ID 1400443