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4,5,6,7-tetrahydro-3-phenyl-6,6-dimethyl-5,7-methylene bridge-2,1-benzisoxazole
SpectraBase Compound ID 5w1qsAIqoNW
InChI InChI=1S/C16H17NO/c1-16(2)11-8-12-14(13(16)9-11)17-18-15(12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey ZUCPUEQXLBEJQS-UHFFFAOYSA-N
Mol Weight 239.32 g/mol
Molecular Formula C16H17NO
Exact Mass 239.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0c4sM3hjSC
Name 4,5,6,7-tetrahydro-3-phenyl-6,6-dimethyl-5,7-methylene bridge-2,1-benzisoxazole
Appearance White crystals
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Formula C16H17NO
InChI InChI=1S/C16H17NO/c1-16(2)11-8-12-14(13(16)9-11)17-18-15(12)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey ZUCPUEQXLBEJQS-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 239.318 g/mol
Optical Rotation [a]D28 = -120.0 (c = 0.05, CH3OH)
SMILES C12c3c(CC(C2(C)C)C1)c(on3)-c1ccccc1
SPLASH splash10-0a6r-3930000000-102bf2b1c2e64ec4edd8
Source of Spectrum CN103980217B
Wiley ID 1850233