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rac-3-methyl-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5-yl)benzonitrile
SpectraBase Compound ID AVaiKKeC4CT
InChI InChI=1S/C20H28N2O/c1-13-9-15(12-21)7-8-16(13)20(5)10-14(2)18-17(11-20)19(3,4)23-22(18)6/h7-9,14,17-18H,10-11H2,1-6H3/t14-,17+,18+,20+/m0/s1
InChIKey IVEPUDRKXZEACA-LMVHDODDSA-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 3aya6ep0Z9c
Name rac-3-methyl-4-((3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole-5-yl)benzonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O
InChI InChI=1S/C20H28N2O/c1-13-9-15(12-21)7-8-16(13)20(5)10-14(2)18-17(11-20)19(3,4)23-22(18)6/h7-9,14,17-18H,10-11H2,1-6H3/t14-,17+,18+,20+/m0/s1
InChIKey IVEPUDRKXZEACA-LMVHDODDSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 312.457 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccc(cc1C)C#N
SPLASH splash10-0h09-6911000000-8f46ad59773826c255d8
Source of Spectrum CN114761385A
Wiley ID 1884410