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rac-(3aR,5R,7S,7aR)-5-(3,5-dimethylphenyl)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID 56xgFMkHb08
InChI InChI=1S/C22H35NO/c1-14(2)23-20-17(5)12-22(8,13-19(20)21(6,7)24-23)18-10-15(3)9-16(4)11-18/h9-11,14,17,19-20H,12-13H2,1-8H3/t17-,19+,20+,22+/m0/s1
InChIKey SVSROUJSMUTXJT-RJJVWVDVSA-N
Mol Weight 329.5 g/mol
Molecular Formula C22H35NO
Exact Mass 329.271865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GD9PQnx1C0U
Name rac-(3aR,5R,7S,7aR)-5-(3,5-dimethylphenyl)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35NO
InChI InChI=1S/C22H35NO/c1-14(2)23-20-17(5)12-22(8,13-19(20)21(6,7)24-23)18-10-15(3)9-16(4)11-18/h9-11,14,17,19-20H,12-13H2,1-8H3/t17-,19+,20+,22+/m0/s1
InChIKey SVSROUJSMUTXJT-RJJVWVDVSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 329.528 g/mol
SMILES c1(cc(cc(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C(C)C)([C@](C1)(C)[H])[H])[H])C)C)C
SPLASH splash10-0imi-0907000000-31d616122ab2da836d26
Source of Spectrum CN114761385A
Wiley ID 1884382