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1,9-dimethylene-4,5,7,8-tetrahydro-2H-benzocycloheptene-3,3,6,6-tetracarboxylic acid tetramethyl ester
SpectraBase Compound ID BEEMecRZVzr
InChI InChI=1S/C21H26O8/c1-12-7-8-20(16(22)26-3,17(23)27-4)10-14-11-21(18(24)28-5,19(25)29-6)9-13(2)15(12)14/h1-2,7-11H2,3-6H3
InChIKey LWPWXSNZHVFDRY-UHFFFAOYSA-N
Mol Weight 406.43 g/mol
Molecular Formula C21H26O8
Exact Mass 406.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJiQMAjhMDb
Name 1,9-dimethylene-4,5,7,8-tetrahydro-2H-benzocycloheptene-3,3,6,6-tetracarboxylic acid tetramethyl ester
Alternate Name(s) 1,9-dimethylene-4,5,7,8-tetrahydro-2H-benzo[7]annulene-3,3,6,6-tetracarboxylic acid tetramethyl ester tetramethyl 1,9-dimethylene-4,5,7,8-tetrahydro-2H-benzo[7]annulene-3,3,6,6-tetracarboxylate tetramethyl 1,9-dimethylidene-4,5,7,8-tetrahydro-2H-benzo[7]annulene-3,3,6,6-tetracarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O8
InChI InChI=1S/C21H26O8/c1-12-7-8-20(16(22)26-3,17(23)27-4)10-14-11-21(18(24)28-5,19(25)29-6)9-13(2)15(12)14/h1-2,7-11H2,3-6H3
InChIKey LWPWXSNZHVFDRY-UHFFFAOYSA-N
Molecular Weight 406.431 g/mol
SMILES C1=2C(CCC(CC2CC(CC1=C)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)=C
SPLASH splash10-004i-0090000000-e72fa7e67f8d42ea8af5
Source of Spectrum J-65-8542-70
Wiley ID 1533967