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3a,8a-Propano-4H-cyclohept[d]isoxazol-4-one, 5,6,7,8-tetrahydro-3-(2,4,6-trimethylphenyl)-
SpectraBase Compound ID A3RhRtxmyAO
InChI InChI=1S/C20H25NO2/c1-13-11-14(2)17(15(3)12-13)18-20-10-6-9-19(20,23-21-18)8-5-4-7-16(20)22/h11-12H,4-10H2,1-3H3/t19-,20+/m0/s1
InChIKey HRGWATALVIHHIU-VQTJNVASSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBy3IArLUtI
Name 3a,8a-Propano-4H-cyclohept[d]isoxazol-4-one, 5,6,7,8-tetrahydro-3-(2,4,6-trimethylphenyl)-
CAS Registry Number 104000-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-13-11-14(2)17(15(3)12-13)18-20-10-6-9-19(20,23-21-18)8-5-4-7-16(20)22/h11-12H,4-10H2,1-3H3/t19-,20+/m0/s1
InChIKey HRGWATALVIHHIU-VQTJNVASSA-N
Molecular Weight 311.425 g/mol
SMILES C=1([C@]23[C@@](CCC3)(CCCCC2=O)ON1)c1c(cc(cc1C)C)C
SPLASH splash10-03du-9424000000-5d1d74c3ef7430737b6e
Source of Spectrum Y-23-1683-0
Synonyms 10-(2,4,6-Trimethylphenyl)-8,9-oxaza[5.3.3]propell-9-en-2-one 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatricyclo[5.3.3.0(1,7)]tridec-9-en-2-one
Wiley ID 1312654