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rac-(3aR,5R,7S,7aR)-5-(2,5-dimethylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID CbTF7Ncs8Aw
InChI InChI=1S/C20H31NO/c1-13-8-9-14(2)16(10-13)20(6)11-15(3)18-17(12-20)19(4,5)22-21(18)7/h8-10,15,17-18H,11-12H2,1-7H3/t15-,17+,18+,20+/m0/s1
InChIKey QJKYLVQRHVVFQJ-ZCDKGFTFSA-N
Mol Weight 301.47 g/mol
Molecular Formula C20H31NO
Exact Mass 301.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhtIHeVkIru
Name rac-(3aR,5R,7S,7aR)-5-(2,5-dimethylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
Appearance Yellow oil
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Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-13-8-9-14(2)16(10-13)20(6)11-15(3)18-17(12-20)19(4,5)22-21(18)7/h8-10,15,17-18H,11-12H2,1-7H3/t15-,17+,18+,20+/m0/s1
InChIKey QJKYLVQRHVVFQJ-ZCDKGFTFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 301.474 g/mol
SMILES Cc1ccc(c(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)C
SPLASH splash10-0ufr-2903000000-350bddeb222c6e54911e
Source of Spectrum CN114761385A
Wiley ID 1884591