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(+-)(2R*,3S*)-2-Ethoxycarbonyl-3-(4-methoxyphenyl)-1,2,3,8-tetrahydroazulen-1-one
SpectraBase Compound ID 4G841Iqv4Ud
InChI InChI=1S/C20H20O4/c1-3-24-20(22)18-17(13-9-11-14(23-2)12-10-13)15-7-5-4-6-8-16(15)19(18)21/h4-7,9-12,17-18H,3,8H2,1-2H3/t17-,18+/m0/s1
InChIKey DWFDFAXMBXYRFC-ZWKOTPCHSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7BQLd45ET7
Name (+-)(2R*,3S*)-2-Ethoxycarbonyl-3-(4-methoxyphenyl)-1,2,3,8-tetrahydroazulen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-3-24-20(22)18-17(13-9-11-14(23-2)12-10-13)15-7-5-4-6-8-16(15)19(18)21/h4-7,9-12,17-18H,3,8H2,1-2H3/t17-,18+/m0/s1
InChIKey DWFDFAXMBXYRFC-ZWKOTPCHSA-N
Molecular Weight 324.376 g/mol
SMILES [C@]1(C(C=2CC=CC=CC2[C@@]1(c1ccc(cc1)OC)[H])=O)(C(=O)OCC)[H]
SPLASH splash10-014i-9500000000-3cd51b71c158a93d6e2a
Source of Spectrum SO-0-186-4
Synonyms Ethyl (1S,2R)-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydro-2-azulenecarboxylate
Wiley ID 876250