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3H,5H-4a,10a-Methano-1H-benzo[4,5]cyclohept[1,2-c]isoxazole, octahydro-8,8a-dimethyl-1-(phenylmethyl)-, (3a.alpha.,4a.beta.,8.alpha.,8a.alpha.,10a.beta.)-(.+-.)-
SpectraBase Compound ID 37mfCdJTWx1
InChI InChI=1S/C22H31NO/c1-17-7-6-10-21-13-19-15-24-23(14-18-8-4-3-5-9-18)22(19,16-21)12-11-20(17,21)2/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3/t17-,19+,20+,21+,22+/m1/s1
InChIKey FLALCEYTGOCRPX-AMGKQAFBSA-N
Mol Weight 325.5 g/mol
Molecular Formula C22H31NO
Exact Mass 325.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6jzuWFQ7fP
Name 3H,5H-4a,10a-Methano-1H-benzo[4,5]cyclohept[1,2-c]isoxazole, octahydro-8,8a-dimethyl-1-(phenylmethyl)-, (3a.alpha.,4a.beta.,8.alpha.,8a.alpha.,10a.beta.)-(.+-.)-
CAS Registry Number 86437-37-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO
InChI InChI=1S/C22H31NO/c1-17-7-6-10-21-13-19-15-24-23(14-18-8-4-3-5-9-18)22(19,16-21)12-11-20(17,21)2/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3/t17-,19+,20+,21+,22+/m1/s1
InChIKey FLALCEYTGOCRPX-AMGKQAFBSA-N
Molecular Weight 325.496 g/mol
SMILES [C@@]123N(OC[C@@]3(C[C@]3(C1)CCC[C@]([C@@]3(CC2)C)(C)[H])[H])Cc1ccccc1
SPLASH splash10-0006-9133000000-d06f2c78f7bceb95c981
Source of Spectrum F-41-3489-40
Synonyms (1S,4S,5R,9S,11R)-14-benzyl-4,5-dimethyl-13-oxa-14-azatetracyclo[7.5.1.0(1,11).0(4,9)]pentadecane N-Benzyl-1-oxa-(2,n(1',11'')-(4',5'-dimethyl-11'-(hydroxymethyl)tricyclo[7.2.1.0(4,9)]dodecane)-ethylamine
Wiley ID 1324242