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rac-(3aR,5R,7S,7aR)-5-(4-fluorophenyl)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]Isoxazole
SpectraBase Compound ID HYeYQBOdIyw
InChI InChI=1S/C20H30FNO/c1-13(2)22-18-14(3)11-20(6,12-17(18)19(4,5)23-22)15-7-9-16(21)10-8-15/h7-10,13-14,17-18H,11-12H2,1-6H3/t14-,17+,18+,20+/m0/s1
InChIKey MXQVXQCSIOYOQN-LMVHDODDSA-N
Mol Weight 319.46 g/mol
Molecular Formula C20H30FNO
Exact Mass 319.231143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3OF4ZRDQg4
Name rac-(3aR,5R,7S,7aR)-5-(4-fluorophenyl)-1-isopropyl-3,3,5,7-tetramethyloctahydrobenzo[c]Isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30FNO
InChI InChI=1S/C20H30FNO/c1-13(2)22-18-14(3)11-20(6,12-17(18)19(4,5)23-22)15-7-9-16(21)10-8-15/h7-10,13-14,17-18H,11-12H2,1-6H3/t14-,17+,18+,20+/m0/s1
InChIKey MXQVXQCSIOYOQN-LMVHDODDSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 319.464 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C(C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccc(cc1)F
SPLASH splash10-0udi-0907000000-21897e5e152ba77c07e8
Source of Spectrum CN114761385A
Wiley ID 1884420