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1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID 2AkdsQA3Tn1
InChI InChI=1S/C18H26O6/c1-17(2,3)23-15(21)12-10-7-9(19)8-11(10)13(14(12)20)16(22)24-18(4,5)6/h10-13H,7-8H2,1-6H3
InChIKey BECPDHRVVVBBIJ-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C18H26O6
Exact Mass 338.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wY3pm19vk7
Name 1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, bis(1,1-dimethylethyl) ester
Alternate Name(s) di(tert-butyl) 2,5-dioxooctahydro-1,3-pentalenedicarboxylate Di-t-butyl ester of 3,7-dioxobicyclo[3.3.0]octane-2,4-dicarboxylic acid
CAS Registry Number 82031-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O6
InChI InChI=1S/C18H26O6/c1-17(2,3)23-15(21)12-10-7-9(19)8-11(10)13(14(12)20)16(22)24-18(4,5)6/h10-13H,7-8H2,1-6H3
InChIKey BECPDHRVVVBBIJ-UHFFFAOYSA-N
Molecular Weight 338.400 g/mol
SMILES C1(C(C(C(OC(C)(C)C)=O)C2C1CC(=O)C2)=O)C(OC(C)(C)C)=O
SPLASH splash10-0bt9-0690000000-7d6741d399283d543f08
Source of Spectrum K-115-1442-0
Wiley ID 1333659