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rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(2-methoxyphenyl)-3,3,5,7-tetramethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID GDLcpv9Jp9b
InChI InChI=1S/C21H33NO2/c1-14(2)22-19-15(3)12-21(6,13-17(19)20(4,5)24-22)16-10-8-9-11-18(16)23-7/h8-11,14-15,17,19H,12-13H2,1-7H3/t15-,17+,19+,21+/m0/s1
InChIKey ALIDFYBQBZPYRV-GIOGAUJUSA-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 vrE8Svtg0
Name rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(2-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(6,13-17(19)20(4,5)24-22)16-10-8-9-11-18(16)23-7/h8-11,14-15,17,19H,12-13H2,1-7H3/t15-,17+,19+,21+/m0/s1
InChIKey ALIDFYBQBZPYRV-GIOGAUJUSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 331.500 g/mol
SMILES C(N1OC([C@]2([C@]1([C@](C[C@](C2)(c1c(cccc1)OC)C)(C)[H])[H])[H])(C)C)(C)C
SPLASH splash10-0gb9-0906000000-0b7705fe8e08a5f51f4c
Source of Spectrum CN114761385A
Wiley ID 1884374