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(2R)-6-ethoxycarbonyl-1,2,3,3a-tetrahydroazulene-2-carboxylic acid
SpectraBase Compound ID 90JveTsws1e
InChI InChI=1S/C14H16O4/c1-2-18-14(17)9-3-5-10-7-12(13(15)16)8-11(10)6-4-9/h3-5,12H,2,6-8H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey UPFOUXOXYLERQX-LBPRGKRZSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTWgbAxvY1c
Name (2R)-6-ethoxycarbonyl-1,2,3,3a-tetrahydroazulene-2-carboxylic acid
Appearance Slightly bluish needles
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-18-14(17)9-3-5-10-7-12(13(15)16)8-11(10)6-4-9/h3-5,12H,2,6-8H2,1H3,(H,15,16)/t12-/m0/s1
InChIKey UPFOUXOXYLERQX-LBPRGKRZSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.77
Molecular Weight 248.278 g/mol
Reported Formula C14H16O4
SMILES OC([C@]1(CC2=C(CC=C(C(OCC)=O)C=C2)C1)[H])=O
SPLASH splash10-004i-0950000000-82058732110d3e21a835
Source of Spectrum BJO-8-697-8
Thin-Layer Chromatography Rf = 0.35 (EtOAc/CH2Cl2, 1:5)
Wiley ID 1867434