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rac-(3aR,5R,7S,7aR)-5-(2-ethoxyphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID EWG5rGsGe8n
InChI InChI=1S/C20H31NO2/c1-7-22-17-11-9-8-10-15(17)20(5)12-14(2)18-16(13-20)19(3,4)23-21(18)6/h8-11,14,16,18H,7,12-13H2,1-6H3/t14-,16+,18+,20+/m0/s1
InChIKey SEHMXGVIHJGQCD-JYJIFUJCSA-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 4ZXR5vgSye
Name rac-(3aR,5R,7S,7aR)-5-(2-ethoxyphenyl)-1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-7-22-17-11-9-8-10-15(17)20(5)12-14(2)18-16(13-20)19(3,4)23-21(18)6/h8-11,14,16,18H,7,12-13H2,1-6H3/t14-,16+,18+,20+/m0/s1
InChIKey SEHMXGVIHJGQCD-JYJIFUJCSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 317.473 g/mol
SMILES [C@@]1(C[C@@]2([C@](N(OC2(C)C)C)([C@](C1)(C)[H])[H])[H])(C)c1ccccc1OCC
SPLASH splash10-00p1-2903000000-f0123e0e19c36992d1f4
Source of Spectrum CN114761385A
Wiley ID 1884406