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Diethyl 7-methyl-2,3,4,5-tetrahydro-3-oxo-1H-benzocycloheptene-2,4-dicarboxylate
SpectraBase Compound ID Bs2t9swXY9a
InChI InChI=1S/C18H22O5/c1-4-22-17(20)14-9-12-7-6-11(3)8-13(12)10-15(16(14)19)18(21)23-5-2/h6-8,14-15H,4-5,9-10H2,1-3H3
InChIKey VKNCGAVQAVCYML-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CvxLkIfFPc
Name Diethyl 7-methyl-2,3,4,5-tetrahydro-3-oxo-1H-benzocycloheptene-2,4-dicarboxylate
Alternate Name(s) Diethyl 2-methyl-7-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene-6,8-dicarboxylate Diethyl 7-methyl-2,3,4,5-tetrahydro-3-oxo-1H-benzocycloheptene-2,7-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-4-22-17(20)14-9-12-7-6-11(3)8-13(12)10-15(16(14)19)18(21)23-5-2/h6-8,14-15H,4-5,9-10H2,1-3H3
InChIKey VKNCGAVQAVCYML-UHFFFAOYSA-N
Molecular Weight 318.369 g/mol
SMILES C1(C(C(Cc2c(C1)cc(cc2)C)C(=O)OCC)=O)C(=O)OCC
SPLASH splash10-00dl-0941000000-bb30a87e40500703a4aa
Source of Spectrum H-84-2062-27
Wiley ID 847714