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rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(naphthalen-2-yl)octahydrobenzo[c]isoxazole
SpectraBase Compound ID L62dybezA9a
InChI InChI=1S/C22H29NO/c1-15-13-22(4,14-19-20(15)23(5)24-21(19,2)3)18-11-10-16-8-6-7-9-17(16)12-18/h6-12,15,19-20H,13-14H2,1-5H3/t15-,19+,20+,22+/m0/s1
InChIKey WKQJUHYHONDMPM-CODJPFMTSA-N
Mol Weight 323.48 g/mol
Molecular Formula C22H29NO
Exact Mass 323.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5w1mT2kqWAr
Name rac-(3aR,5R,7S,7aR)-1,3,3,5,7-pentamethyl-5-(naphthalen-2-yl)octahydrobenzo[c]isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO
InChI InChI=1S/C22H29NO/c1-15-13-22(4,14-19-20(15)23(5)24-21(19,2)3)18-11-10-16-8-6-7-9-17(16)12-18/h6-12,15,19-20H,13-14H2,1-5H3/t15-,19+,20+,22+/m0/s1
InChIKey WKQJUHYHONDMPM-CODJPFMTSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 323.480 g/mol
SMILES C1(ON([C@]2([C@]1(C[C@@](C[C@@]2(C)[H])(c1ccc2c(c1)cccc2)C)[H])[H])C)(C)C
SPLASH splash10-00l2-1900000000-cbaf97a20514961baa27
Source of Spectrum CN114761385A
Wiley ID 1884377