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rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(2,4,5-trimethylphenyl)octahydrobenzo[c]Isoxazole
SpectraBase Compound ID 8mycj2snw5r
InChI InChI=1S/C21H33NO/c1-13-9-15(3)17(10-14(13)2)21(7)11-16(4)19-18(12-21)20(5,6)23-22(19)8/h9-10,16,18-19H,11-12H2,1-8H3/t16-,18+,19+,21+/m0/s1
InChIKey STBUPMPPYLOGEN-HKJQZYRSSA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1q4KNWkTWP
Name rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(2,4,5-trimethylphenyl)octahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO
InChI InChI=1S/C21H33NO/c1-13-9-15(3)17(10-14(13)2)21(7)11-16(4)19-18(12-21)20(5,6)23-22(19)8/h9-10,16,18-19H,11-12H2,1-8H3/t16-,18+,19+,21+/m0/s1
InChIKey STBUPMPPYLOGEN-HKJQZYRSSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 315.501 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1c(cc(c(c1)C)C)C)C)[H])[H])C)(C)C
SPLASH splash10-00p0-2901000000-85df02d91b37f451eaea
Source of Spectrum CN114761385A
Wiley ID 1884400