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rac-(3aR,5R,7aR)-1,3,3-trimethyl-5-propyloctahydrobenzo[c]isoxazole
SpectraBase Compound ID 6asjKPfKhZi
InChI InChI=1S/C13H25NO/c1-5-6-10-7-8-12-11(9-10)13(2,3)15-14(12)4/h10-12H,5-9H2,1-4H3/t10-,11-,12-/m1/s1
InChIKey NGYLVSVFTZTNPB-IJLUTSLNSA-N
Mol Weight 211.35 g/mol
Molecular Formula C13H25NO
Exact Mass 211.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID StLggRT5E
Name rac-(3aR,5R,7aR)-1,3,3-trimethyl-5-propyloctahydrobenzo[c]isoxazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25NO
InChI InChI=1S/C13H25NO/c1-5-6-10-7-8-12-11(9-10)13(2,3)15-14(12)4/h10-12H,5-9H2,1-4H3/t10-,11-,12-/m1/s1
InChIKey NGYLVSVFTZTNPB-IJLUTSLNSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 211.349 g/mol
SMILES CN1OC([C@]2([C@]1(CC[C@](C2)(CCC)[H])[H])[H])(C)C
SPLASH splash10-0o9s-5940000000-d403860aafb87093ac73
Source of Spectrum CN114761385A
Wiley ID 1884462