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1-Benzoyl-6,7-bis(methoxycarbonyl)-6-methyl-2-thiabicyco[3.2.0]hept-3-ene
SpectraBase Compound ID B1l5JEVs3pl
InChI InChI=1S/C18H18O5S/c1-17(16(21)23-3)12-9-10-24-18(12,13(17)15(20)22-2)14(19)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3
InChIKey VBEQJDGUHDKNFK-UHFFFAOYSA-N
Mol Weight 346.4 g/mol
Molecular Formula C18H18O5S
Exact Mass 346.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rDUgQvSeR6
Name 1-Benzoyl-6,7-bis(methoxycarbonyl)-6-methyl-2-thiabicyco[3.2.0]hept-3-ene
Alternate Name(s) 1-Benzoyl-6,7-bis(methoxycarbonyl)-6-methyl-2-thiabicyclo[3.2.0]hept-3-ene Dimethyl 1-benzoyl-6-methyl-2-thiabicyclo[3.2.0]hept-3-ene-6,7-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5S
InChI InChI=1S/C18H18O5S/c1-17(16(21)23-3)12-9-10-24-18(12,13(17)15(20)22-2)14(19)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3
InChIKey VBEQJDGUHDKNFK-UHFFFAOYSA-N
Molecular Weight 346.397 g/mol
SMILES C12(C(C(=O)OC)C(C2C=CS1)(C(=O)OC)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-3900000000-d126a3f2538a91a58af4
Source of Spectrum AH-127-535-9
Wiley ID 1339137