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Isoxazolo[3,4-a]benzo[d]cyclohepten-3-one, 3a,4,9,10-tetrahydro-4-phenyl-
SpectraBase Compound ID G2wKT5kzx9p
InChI InChI=1S/C18H15NO2/c20-18-17-15(19-21-18)11-10-12-6-4-5-9-14(12)16(17)13-7-2-1-3-8-13/h1-9,16-17H,10-11H2
InChIKey LIMOFNXQLGXQJN-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C18H15NO2
Exact Mass 277.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBjtRoVSR1A
Name Isoxazolo[3,4-a]benzo[d]cyclohepten-3-one, 3a,4,9,10-tetrahydro-4-phenyl-
CAS Registry Number 112082-80-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO2
InChI InChI=1S/C18H15NO2/c20-18-17-15(19-21-18)11-10-12-6-4-5-9-14(12)16(17)13-7-2-1-3-8-13/h1-9,16-17H,10-11H2
InChIKey LIMOFNXQLGXQJN-UHFFFAOYSA-N
Molecular Weight 277.323 g/mol
SMILES c12c(cccc2)C(C2C(ON=C2CC1)=O)c1ccccc1
SPLASH splash10-0f96-8690000000-a9c5f5f7198101688fd7
Synonyms 4-Phenyl-3a,4,9,10-tetrahydro-3H-benzo[4,5]cyclohepta[1,2-c]isoxazol-3-one 10-phenyl-4,5,10,10a-tetrahydrobenzo[1,2]cyclohepta[6,7-b]isoxazol-1-one 10-phenyl-4,5,10,10a-tetrahydrobenzo[1,2]cyclohepta[6,7-b][1,2]oxazol-1-one
Wiley ID 1474471