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trans-3,4-di(methoxycarbonyl)-9-phenyl-bicyclo[4.3.0]nona-1(6)-en-7-one
SpectraBase Compound ID 3WUElLyN381
InChI InChI=1S/C19H20O5/c1-23-18(21)15-8-13-12(11-6-4-3-5-7-11)10-17(20)14(13)9-16(15)19(22)24-2/h3-7,12,15-16H,8-10H2,1-2H3/t12?,15-,16-/m0/s1
InChIKey ILKGAHQRSGVBBZ-KZMQIFKDSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4G8jLwxsr3
Name trans-3,4-di(methoxycarbonyl)-9-phenyl-bicyclo[4.3.0]nona-1(6)-en-7-one
Alternate Name(s) Dimethyl (5S,6S)-1-oxo-3-phenyl-2,3,4,5,6,7-hexahydro-1H-indene-5,6-dicarboxylate
CAS Registry Number 112091-46-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-23-18(21)15-8-13-12(11-6-4-3-5-7-11)10-17(20)14(13)9-16(15)19(22)24-2/h3-7,12,15-16H,8-10H2,1-2H3/t12?,15-,16-/m0/s1
InChIKey ILKGAHQRSGVBBZ-KZMQIFKDSA-N
Molecular Weight 328.364 g/mol
SMILES C12=C(C(=O)CC2c2ccccc2)C[C@@]([C@](C1)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0aor-7930000000-af2c8003a4b4b3b9cf26
Source of Spectrum AJ-60-333-14
Wiley ID 1326363