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rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(2-methoxyphenyl)-3,3,7-trimethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID 14QCthUPXJT
InChI InChI=1S/C20H31NO2/c1-13(2)21-19-14(3)11-15(12-17(19)20(4,5)23-21)16-9-7-8-10-18(16)22-6/h7-10,13-15,17,19H,11-12H2,1-6H3/t14-,15+,17+,19+/m0/s1
InChIKey FJUBOCVOMTUGDD-BUIAKZPTSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IUDuyWjZnJ
Name rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(2-methoxyphenyl)-3,3,7-trimethyloctahydrobenzo[c]Isoxazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-13(2)21-19-14(3)11-15(12-17(19)20(4,5)23-21)16-9-7-8-10-18(16)22-6/h7-10,13-15,17,19H,11-12H2,1-6H3/t14-,15+,17+,19+/m0/s1
InChIKey FJUBOCVOMTUGDD-BUIAKZPTSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 317.473 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1c(cccc1)OC)[H])[H])[H])C(C)C)(C)C
SPLASH splash10-0udi-1904000000-6e48d6be3f211de45812
Source of Spectrum CN114761385A
Wiley ID 1884452