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10-Oxabicyclo[6.3.2]trideca-8,11,12-triene-12-carboxylic acid, (.+-.)-
SpectraBase Compound ID DUnY9AGr8ZE
InChI InChI=1S/C13H16O3/c14-13(15)12-7-10-5-3-1-2-4-6-11(12)9-16-8-10/h7-9H,1-6H2,(H,14,15)
InChIKey ABXXZVAVPHVEDB-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjyDUvVJ3GI
Name 10-Oxabicyclo[6.3.2]trideca-8,11,12-triene-12-carboxylic acid, (.+-.)-
CAS Registry Number 97673-46-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c14-13(15)12-7-10-5-3-1-2-4-6-11(12)9-16-8-10/h7-9H,1-6H2,(H,14,15)
InChIKey ABXXZVAVPHVEDB-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC(C1=CC2=COC=C1CCCCCC2)=O
SPLASH splash10-0006-9040000000-17e05741d984602b1267
Source of Spectrum K-118-2005-2
Synonyms (+-)-10-Oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12-carboxylic acid (+-)-3,6-Hexanooxepine-4-carboxylic acid 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12-carboxylic acid
Wiley ID 1219921