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rac-(3aR,5R,7S,7aR)-1-ethyl-3,3,7-trimethyl-5-(3-methylbut-2-en-1-yl)octahydrobenzo[c]isoxazole
SpectraBase Compound ID EMYFLzWxdV3
InChI InChI=1S/C17H31NO/c1-7-18-16-13(4)10-14(9-8-12(2)3)11-15(16)17(5,6)19-18/h8,13-16H,7,9-11H2,1-6H3/t13-,14+,15+,16+/m0/s1
InChIKey TWEHVDOCIWELPJ-ZJIFWQFVSA-N
Mol Weight 265.44 g/mol
Molecular Formula C17H31NO
Exact Mass 265.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MG2F8rvw0R
Name rac-(3aR,5R,7S,7aR)-1-ethyl-3,3,7-trimethyl-5-(3-methylbut-2-en-1-yl)octahydrobenzo[c]isoxazole
Appearance Pale yellow oil
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Formula C17H31NO
InChI InChI=1S/C17H31NO/c1-7-18-16-13(4)10-14(9-8-12(2)3)11-15(16)17(5,6)19-18/h8,13-16H,7,9-11H2,1-6H3/t13-,14+,15+,16+/m0/s1
InChIKey TWEHVDOCIWELPJ-ZJIFWQFVSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 265.441 g/mol
SMILES C(N1OC([C@]2([C@]1([C@](C[C@](C2)(CC=C(C)C)[H])(C)[H])[H])[H])(C)C)C
SPLASH splash10-0uxr-2290000000-dcf4218a87b686bea4c3
Source of Spectrum CN114761385A
Wiley ID 1884473