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rac-(3aR,5R,7R,7aR)-5-(3-chloro-2-methylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID 83X59aWdt9
InChI InChI=1S/C19H28ClNO/c1-12-10-19(5,14-8-7-9-16(20)13(14)2)11-15-17(12)21(6)22-18(15,3)4/h7-9,12,15,17H,10-11H2,1-6H3/t12-,15-,17-,19-/m1/s1
InChIKey QPVQKBPJXSPHFC-FCFFQYRPSA-N
Mol Weight 321.89 g/mol
Molecular Formula C19H28ClNO
Exact Mass 321.185942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ7xABILERR
Name rac-(3aR,5R,7R,7aR)-5-(3-chloro-2-methylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28ClNO
InChI InChI=1S/C19H28ClNO/c1-12-10-19(5,14-8-7-9-16(20)13(14)2)11-15-17(12)21(6)22-18(15,3)4/h7-9,12,15,17H,10-11H2,1-6H3/t12-,15-,17-,19-/m1/s1
InChIKey QPVQKBPJXSPHFC-FCFFQYRPSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 321.892 g/mol
SMILES c1cc(c(c(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@@](C1)(C)[H])[H])[H])C)C)Cl
SPLASH splash10-01b9-1933000000-d75188313534b82f3984
Source of Spectrum CN114761385A
Wiley ID 1884386