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3a,8a-Propano-4H-cyclohept[d]isoxazol-4-one, 5,6,7,8-tetrahydro-3-phenyl-
SpectraBase Compound ID DKrlX7T676I
InChI InChI=1S/C17H19NO2/c19-14-9-4-5-10-16-11-6-12-17(14,16)15(18-20-16)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/t16-,17+/m1/s1
InChIKey PVXGZYUAHOZTPV-SJORKVTESA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hg1J3xlJtYg
Name 3a,8a-Propano-4H-cyclohept[d]isoxazol-4-one, 5,6,7,8-tetrahydro-3-phenyl-
Alternate Name(s) 10-Phenyl-8,9-oxaza[5.3.3]propell-9-en-2-one 10-phenyl-8-oxa-9-azatricyclo[5.3.3.0(1,7)]tridec-9-en-2-one
CAS Registry Number 104000-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c19-14-9-4-5-10-16-11-6-12-17(14,16)15(18-20-16)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2/t16-,17+/m1/s1
InChIKey PVXGZYUAHOZTPV-SJORKVTESA-N
Molecular Weight 269.344 g/mol
SMILES [C@@]123C(=NO[C@@]3(CCC1)CCCCC2=O)c1ccccc1
SPLASH splash10-00p3-9050000000-68541f46823c3f5afb5d
Source of Spectrum Y-23-1683-0
Wiley ID 1273403