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(+-)(2R*,3S*)-2-Ethoxycarbonyl-3-phenyl-1,2,3,8-tetrahydroazulen-1-one
SpectraBase Compound ID JGyogJOGpsp
InChI InChI=1S/C19H18O3/c1-2-22-19(21)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)18(17)20/h3-11,16-17H,2,12H2,1H3/t16-,17+/m0/s1
InChIKey MLRYLFWBSIXZMN-DLBZAZTESA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3God2qPq1fX
Name (+-)(2R*,3S*)-2-Ethoxycarbonyl-3-phenyl-1,2,3,8-tetrahydroazulen-1-one
Alternate Name(s) Ethyl (1S,2R)-3-oxo-1-phenyl-1,2,3,4-tetrahydro-2-azulenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-2-22-19(21)17-16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)18(17)20/h3-11,16-17H,2,12H2,1H3/t16-,17+/m0/s1
InChIKey MLRYLFWBSIXZMN-DLBZAZTESA-N
Molecular Weight 294.350 g/mol
SMILES [C@]1(C(C=2CC=CC=CC2[C@@]1(c1ccccc1)[H])=O)(C(=O)OCC)[H]
SPLASH splash10-001i-9310000000-56413cec97d61e7d1d41
Source of Spectrum SO-0-186-4
Wiley ID 876251