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rac-(3aR,5R,7S,7aR)-5-(4-(tert-butyl)phenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID FII2Af1ydI4
InChI InChI=1S/C22H35NO/c1-15-13-22(7,14-18-19(15)23(8)24-21(18,5)6)17-11-9-16(10-12-17)20(2,3)4/h9-12,15,18-19H,13-14H2,1-8H3/t15-,18+,19+,22+/m0/s1
InChIKey KDJCVPZUCLUXOW-DJZBOODTSA-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 8ObA4gJCgV7
Name rac-(3aR,5R,7S,7aR)-5-(4-(tert-butyl)phenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35NO
InChI InChI=1S/C22H35NO/c1-15-13-22(7,14-18-19(15)23(8)24-21(18,5)6)17-11-9-16(10-12-17)20(2,3)4/h9-12,15,18-19H,13-14H2,1-8H3/t15-,18+,19+,22+/m0/s1
InChIKey KDJCVPZUCLUXOW-DJZBOODTSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 329.528 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccc(cc1)C(C)(C)C
SPLASH splash10-004i-5901000000-a849f6a56ec3b68964f3
Source of Spectrum CN114761385A
Wiley ID 1884414