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Tricyclo[4.2.1.0(2,5)]nona-3,7-diene-3,4,7,8-tetracarboxylic acid, tetramethyl ester, (2.alpha.,5.alpha.,6.alpha.,9.alpha.)-
SpectraBase Compound ID 8PgYg2gA8IL
InChI InChI=1S/C17H18O8/c18-12(19)2-6-7(3-13(20)21)9-1-8(6)16-10(4-14(22)23)11(17(9)16)5-15(24)25/h8-9,16-17H,1-5H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKey HIOCAUUYGLRNAY-UHFFFAOYSA-N
Mol Weight 350.32 g/mol
Molecular Formula C17H18O8
Exact Mass 350.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nFXxQdocDw
Name Tricyclo[4.2.1.0(2,5)]nona-3,7-diene-3,4,7,8-tetracarboxylic acid, tetramethyl ester, (2.alpha.,5.alpha.,6.alpha.,9.alpha.)-
CAS Registry Number 20180-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O8
InChI InChI=1S/C17H18O8/c18-12(19)2-6-7(3-13(20)21)9-1-8(6)16-10(4-14(22)23)11(17(9)16)5-15(24)25/h8-9,16-17H,1-5H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKey HIOCAUUYGLRNAY-UHFFFAOYSA-N
Molecular Weight 350.323 g/mol
SMILES OC(CC=1C2C3CC(C(=C3CC(=O)O)CC(=O)O)C2C1CC(=O)O)=O
SPLASH splash10-0a6r-3193000000-12973a0beb8860de263b
Source of Spectrum K-107-3317-121
Synonyms exo-tricyclo[4.2.1.0(2,5)]nona-3,7-dien-3,4,7,8-tetra(methyl carboxylate) Tricyclo[4.2.1.0(2,5)]nona-3,7-diene-3,4,7,8-tetracarboxylic acid, tetramethyl ester, exo- [3,4,8-tris(carboxymethyl)tricyclo[4.2.1.0(2,5)]nona-3,7-dien-7-yl]acetic acid
Wiley ID 1341798