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rac-(3aR,5R,7S,7aR)-5-(2-ethylphenyl)-1-isopropyl-3,3,7-trimethyloctahydrobenzo[c]isooxazole
SpectraBase Compound ID LtmknM7dTCg
InChI InChI=1S/C21H33NO/c1-7-16-10-8-9-11-18(16)17-12-15(4)20-19(13-17)21(5,6)23-22(20)14(2)3/h8-11,14-15,17,19-20H,7,12-13H2,1-6H3/t15-,17+,19+,20+/m0/s1
InChIKey VGHGDGVAAUJNCT-JQERWDHBSA-N
Mol Weight 315.5 g/mol
Molecular Formula C21H33NO
Exact Mass 315.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A6j2OQAHrz
Name rac-(3aR,5R,7S,7aR)-5-(2-ethylphenyl)-1-isopropyl-3,3,7-trimethyloctahydrobenzo[c]isooxazole
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO
InChI InChI=1S/C21H33NO/c1-7-16-10-8-9-11-18(16)17-12-15(4)20-19(13-17)21(5,6)23-22(20)14(2)3/h8-11,14-15,17,19-20H,7,12-13H2,1-6H3/t15-,17+,19+,20+/m0/s1
InChIKey VGHGDGVAAUJNCT-JQERWDHBSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 315.501 g/mol
SMILES [C@]1(C[C@@]2([C@](N(OC2(C)C)C(C)C)([C@](C1)(C)[H])[H])[H])(c1ccccc1CC)[H]
SPLASH splash10-0udi-0809000000-0b6564f0edb5a8ec6a60
Source of Spectrum CN114761385A
Wiley ID 1884442