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10-Oxabicyclo[6.3.2]trideca-8,11,12-triene-12-carboxylic acid, methyl ester, (.+-.)-
SpectraBase Compound ID Cp3Oru1NRUW
InChI InChI=1S/C14H18O3/c1-16-14(15)13-8-11-6-4-2-3-5-7-12(13)10-17-9-11/h8-10H,2-7H2,1H3
InChIKey TYWISRUQKMHUPA-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MjuzTzjTN2
Name 10-Oxabicyclo[6.3.2]trideca-8,11,12-triene-12-carboxylic acid, methyl ester, (.+-.)-
Alternate Name(s) Methyl (+-)-10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12-carboxylate methyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12-carboxylate
CAS Registry Number 97672-82-7
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-16-14(15)13-8-11-6-4-2-3-5-7-12(13)10-17-9-11/h8-10H,2-7H2,1H3
InChIKey TYWISRUQKMHUPA-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C1(=CC2=COC=C1CCCCCC2)C(=O)OC
SPLASH splash10-0006-9050000000-502bd7835c2fa50cf5f9
Source of Spectrum K-118-2006-2
Wiley ID 1236141