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3,4,5,6-Tetrahydro-2,3-bis(methoxycarbonyl)-4-phenylthio-2H-naphtho[1,2-b]thiopyran
SpectraBase Compound ID CEccYEMjhFR
InChI InChI=1S/C23H22O4S2/c1-26-22(24)18-20(28-15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)19(17)29-21(18)23(25)27-2/h3-11,18,20-21H,12-13H2,1-2H3
InChIKey FWLDUTAGPOOHGK-UHFFFAOYSA-N
Mol Weight 426.55 g/mol
Molecular Formula C23H22O4S2
Exact Mass 426.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CM7Nx1FKiX1
Name 3,4,5,6-Tetrahydro-2,3-bis(methoxycarbonyl)-4-phenylthio-2H-naphtho[1,2-b]thiopyran
Alternate Name(s) Dimethyl 4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O4S2
InChI InChI=1S/C23H22O4S2/c1-26-22(24)18-20(28-15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)19(17)29-21(18)23(25)27-2/h3-11,18,20-21H,12-13H2,1-2H3
InChIKey FWLDUTAGPOOHGK-UHFFFAOYSA-N
Molecular Weight 426.545 g/mol
SMILES C12=C(C(Sc3ccccc3)C(C(S1)C(=O)OC)C(=O)OC)CCc1c2cccc1
SPLASH splash10-0a4i-0292000000-d8152ae0c71cd65b2a40
Source of Spectrum AJ-65-2059-2
Wiley ID 771478