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rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(4-methoxyphenyl)-3,3,5,7-tetramethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID 3dHvnLho0wg
InChI InChI=1S/C21H33NO2/c1-14(2)22-19-15(3)12-21(6,13-18(19)20(4,5)24-22)16-8-10-17(23-7)11-9-16/h8-11,14-15,18-19H,12-13H2,1-7H3/t15-,18+,19+,21+/m0/s1
InChIKey APNFJBXBQZLNCF-BQBKMSKFSA-N
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NpL4WQ4rX
Name rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(4-methoxyphenyl)-3,3,5,7-tetramethyloctahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO2
InChI InChI=1S/C21H33NO2/c1-14(2)22-19-15(3)12-21(6,13-18(19)20(4,5)24-22)16-8-10-17(23-7)11-9-16/h8-11,14-15,18-19H,12-13H2,1-7H3/t15-,18+,19+,21+/m0/s1
InChIKey APNFJBXBQZLNCF-BQBKMSKFSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 331.500 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1ccc(cc1)OC)C)[H])[H])C(C)C)(C)C
SPLASH splash10-0gb9-0609000000-aff85ff2431b94c4bd0e
Source of Spectrum CN114761385A
Wiley ID 1884387