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1,3-Heptadiene-1,2,6,6-tetracarboxylic acid, 5-methyl-, 6,6-bis(1,1-dimethylethyl) 1,2-dimethyl ester, (E,E)-
SpectraBase Compound ID LbrW3lz8ntR
InChI InChI=1S/C22H34O8/c1-14(11-12-15(17(24)28-10)13-16(23)27-9)22(8,18(25)29-20(2,3)4)19(26)30-21(5,6)7/h11-14H,1-10H3/b12-11+,15-13-
InChIKey FMBKCWPEPXXELQ-UDPMFAINSA-N
Mol Weight 426.5 g/mol
Molecular Formula C22H34O8
Exact Mass 426.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lPDKtdBVxk
Name 1,3-Heptadiene-1,2,6,6-tetracarboxylic acid, 5-methyl-, 6,6-bis(1,1-dimethylethyl) 1,2-dimethyl ester, (E,E)-
CAS Registry Number 58838-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O8
InChI InChI=1S/C22H34O8/c1-14(11-12-15(17(24)28-10)13-16(23)27-9)22(8,18(25)29-20(2,3)4)19(26)30-21(5,6)7/h11-14H,1-10H3/b12-11+,15-13-
InChIKey FMBKCWPEPXXELQ-UDPMFAINSA-N
Molecular Weight 426.506 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)(C(\C=C\C(=C\C(=O)OC)C(=O)OC)C)C
SPLASH splash10-0a4i-9000000000-b125fc96f80d5fd9deb6
Source of Spectrum C-98-1211-0
Synonyms 6,6-Ditert-butyl 1,2-dimethyl (1Z,3E)-5-methyl-1,3-heptadiene-1,2,6,6-tetracarboxylate Methyl 3-carbomethoxy-7,7-dicarbo-t-butoxy-6-methyl-trans,trans-2,4-octadienoate
Wiley ID 1379874