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8-Oxapentacyclo[4.4.0.02,4.03,5.07,10]decane-7-carboxylic acid, 9-oxo-10-phenyl-, methyl ester, stereoisomer
SpectraBase Compound ID 90XPGvA9Q6K
InChI InChI=1S/C17H14O4/c1-20-15(19)17-13-11-8-9(11)10(8)12(13)16(17,14(18)21-17)7-5-3-2-4-6-7/h2-6,8-13H,1H3/t8-,9+,10?,11?,12?,13?,16?,17?
InChIKey TXKMSAKWJQSTIP-FEVWRMAYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcuJXi10UZR
Name 8-Oxapentacyclo[4.4.0.02,4.03,5.07,10]decane-7-carboxylic acid, 9-oxo-10-phenyl-, methyl ester, stereoisomer
Alternate Name(s) Methyl 9-oxo-10-phenyl-8-oxapentacyclo[4.4.0.0(2,4).0(3,5).0(7,10)]decane-7-carboxylate
CAS Registry Number 127280-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O4
InChI InChI=1S/C17H14O4/c1-20-15(19)17-13-11-8-9(11)10(8)12(13)16(17,14(18)21-17)7-5-3-2-4-6-7/h2-6,8-13H,1H3/t8-,9+,10?,11?,12?,13?,16?,17?
InChIKey TXKMSAKWJQSTIP-FEVWRMAYSA-N
Molecular Weight 282.295 g/mol
SMILES C12(C(C(=O)OC)(OC2=O)C2C3[C@]4(C([C@@]34[H])C12)[H])c1ccccc1
SPLASH splash10-00or-3910000000-56d7acd1a2280b80ba18
Source of Spectrum K-123-2037-22
Wiley ID 1286067