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rac-(3aR,5R,7S,7aR)-5-(5-chloro-2-methylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID 1tu1oqW7YLk
InChI InChI=1S/C19H28ClNO/c1-12-7-8-14(20)9-15(12)19(5)10-13(2)17-16(11-19)18(3,4)22-21(17)6/h7-9,13,16-17H,10-11H2,1-6H3/t13-,16+,17+,19+/m0/s1
InChIKey XGKGTNLPNULRFT-CNDLSXRNSA-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 8pNV5jc9s4z
Name rac-(3aR,5R,7S,7aR)-5-(5-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/c1-12-7-8-14(20)9-15(12)19(5)10-13(2)17-16(11-19)18(3,4)22-21(17)6/h7-9,13,16-17H,10-11H2,1-6H3/t13-,16+,17+,19+/m0/s1
InChIKey XGKGTNLPNULRFT-CNDLSXRNSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 321.892 g/mol
SMILES c1(Cl)ccc(c(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)C
SPLASH splash10-0fi9-3902000000-35160355e829357650cd
Source of Spectrum CN114761385A
Wiley ID 1884589