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3,5-Ditert-butylcyclohepta-3,5-diene-1,1-dicarboxylic acid dimethyl ester
SpectraBase Compound ID HyrCoz2i2IR
InChI InChI=1S/C19H30O4/c1-17(2,3)13-9-10-19(15(20)22-7,16(21)23-8)12-14(11-13)18(4,5)6/h9,11H,10,12H2,1-8H3
InChIKey BNQTULRVPGZAGR-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4u5cwrx9akG
Name 3,5-Ditert-butylcyclohepta-3,5-diene-1,1-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 3,5-ditert-butylcyclohepta-3,5-diene-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-17(2,3)13-9-10-19(15(20)22-7,16(21)23-8)12-14(11-13)18(4,5)6/h9,11H,10,12H2,1-8H3
InChIKey BNQTULRVPGZAGR-UHFFFAOYSA-N
Molecular Weight 322.445 g/mol
SMILES C1(CC(=CC(=CC1)C(C)(C)C)C(C)(C)C)(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-9320000000-ebbe2a43b93a43df1795
Source of Spectrum MZ-34-1640-6
Wiley ID 1582220