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rac-(3aR,5R,7aR)-5-butyl-1-isopropyl-3,3-dimethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID CEob9yCHZfV
InChI InChI=1S/C16H31NO/c1-6-7-8-13-9-10-15-14(11-13)16(4,5)18-17(15)12(2)3/h12-15H,6-11H2,1-5H3/t13-,14-,15-/m1/s1
InChIKey RXEXLZIESLQXDD-RBSFLKMASA-N
Mol Weight 253.43 g/mol
Molecular Formula C16H31NO
Exact Mass 253.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1GrzBX35HZ
Name rac-(3aR,5R,7aR)-5-butyl-1-isopropyl-3,3-dimethyloctahydrobenzo[c]isoxazole
Appearance Brown oil
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Formula C16H31NO
InChI InChI=1S/C16H31NO/c1-6-7-8-13-9-10-15-14(11-13)16(4,5)18-17(15)12(2)3/h12-15H,6-11H2,1-5H3/t13-,14-,15-/m1/s1
InChIKey RXEXLZIESLQXDD-RBSFLKMASA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 253.430 g/mol
SMILES [C@]1(C[C@@]2([C@](N(OC2(C)C)C(C)C)(CC1)[H])[H])(CCCC)[H]
SPLASH splash10-000i-2290000000-fb95aaaaf6ff7bef8b3b
Source of Spectrum CN114761385A
Wiley ID 1884466