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2-Methyl-3-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
SpectraBase Compound ID 5z6FVaCfEen
InChI InChI=1S/C20H28N2O/c1-13-10-20(5,16-9-7-8-15(12-21)14(16)2)11-17-18(13)22(6)23-19(17,3)4/h7-9,13,17-18H,10-11H2,1-6H3
InChIKey OAGWTPJIILZSMN-UHFFFAOYSA-N
Mol Weight 312.46 g/mol
Molecular Formula C20H28N2O
Exact Mass 312.220164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64VKKgDMycO
Name 2-Methyl-3-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile
Appearance Pale yellow oil
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Formula C20H28N2O
InChI InChI=1S/C20H28N2O/c1-13-10-20(5,16-9-7-8-15(12-21)14(16)2)11-17-18(13)22(6)23-19(17,3)4/h7-9,13,17-18H,10-11H2,1-6H3
InChIKey OAGWTPJIILZSMN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 312.457 g/mol
SMILES C1(CC2C(N(OC2(C)C)C)C(C1)C)(C)c1cccc(c1C)C#N
SPLASH splash10-03g1-9812000000-856a8aa185459b3fbf4d
Sample Comments Isomer 1
Source of Spectrum CN114761385A
Wiley ID 1884510