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[Bi-2,4,6-cycloheptatrien-1-yl]-3,3'-dicarboxylic acid, (R*,S*)-
SpectraBase Compound ID CONdaEmaR6U
InChI InChI=1S/C16H14O4/c17-15(18)13-7-3-1-5-11(9-13)12-6-2-4-8-14(10-12)16(19)20/h1-12H,(H,17,18)(H,19,20)/t11-,12+
InChIKey IDDQGBDKKPOEEI-TXEJJXNPSA-N
Mol Weight 270.28 g/mol
Molecular Formula C16H14O4
Exact Mass 270.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgcAmdKL1rg
Name [Bi-2,4,6-cycloheptatrien-1-yl]-3,3'-dicarboxylic acid, (R*,S*)-
CAS Registry Number 89548-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O4
InChI InChI=1S/C16H14O4/c17-15(18)13-7-3-1-5-11(9-13)12-6-2-4-8-14(10-12)16(19)20/h1-12H,(H,17,18)(H,19,20)/t11-,12+
InChIKey IDDQGBDKKPOEEI-TXEJJXNPSA-N
Molecular Weight 270.284 g/mol
SMILES OC(C1=C[C@]([C@@]2(C=C(C(=O)O)C=CC=C2)[H])(C=CC=C1)[H])=O
SPLASH splash10-004i-0940000000-553b5082d691e5e4e2fe
Source of Spectrum K-117-821-0
Synonyms (3R)-3-[(1S)-3-carboxycyclohepta-2,4,6-trien-1-yl]cyclohepta-1,4,6-triene-1-carboxylic acid meso-bi-2,4,6-cycloheptatriene-1-yl]-3,3'-dicarboxylic acid
Wiley ID 1274338