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rac-(3aR,5R,7S,7aR)-5-(2,4-dimethylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID LV7jB0pX4ej
InChI InChI=1S/C20H31NO/c1-13-8-9-16(14(2)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 ALTDNSUSWOVJDB-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 4FNxHlJsvDB
Name rac-(3aR,5R,7S,7aR)-5-(2,4-dimethylphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
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Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-13-8-9-16(14(2)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 ALTDNSUSWOVJDB-ZCDKGFTFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 301.474 g/mol
SMILES c1c(cc(c(c1)[C@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])C)C)C
SPLASH splash10-0fbi-3902000000-79d8262d9979ba06e8b1
Source of Spectrum CN114761385A
Wiley ID 1884601