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rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(6-methoxypyridin-2-yl)-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID Lxw4zQdCpFG
InChI InChI=1S/C20H32N2O2/c1-13(2)22-18-14(3)11-20(6,12-15(18)19(4,5)24-22)16-9-8-10-17(21-16)23-7/h8-10,13-15,18H,11-12H2,1-7H3/t14-,15+,18+,20+/m0/s1
InChIKey TUQAGQOXWPGOPI-QHDJUILOSA-N
Mol Weight 332.5 g/mol
Molecular Formula C20H32N2O2
Exact Mass 332.246378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B232v0DtGl6
Name rac-(3aR,5R,7S,7aR)-1-isopropyl-5-(6-methoxypyridin-2-yl)-3,3,5,7-tetramethyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32N2O2
InChI InChI=1S/C20H32N2O2/c1-13(2)22-18-14(3)11-20(6,12-15(18)19(4,5)24-22)16-9-8-10-17(21-16)23-7/h8-10,13-15,18H,11-12H2,1-7H3/t14-,15+,18+,20+/m0/s1
InChIKey TUQAGQOXWPGOPI-QHDJUILOSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 332.488 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1nc(ccc1)OC)C)[H])[H])C(C)C)(C)C
SPLASH splash10-0h0r-0921000000-5052ca28e28e66ab9c87
Source of Spectrum CN114761385A
Wiley ID 1884506