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(3aR,5aR,9aS,9bS)-1,3,3,5a,9-pentamethyl-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[1,2-c]isoxazole

View entire compound with spectra: 1 MS (GC)

(3aR,5aR,9aS,9bS)-1,3,3,5a,9-pentamethyl-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[1,2-c]isoxazole
SpectraBase Compound ID CBEWnPwqoMY
InChI InChI=1S/C16H27NO/c1-11-7-6-9-16(4)10-8-12-14(13(11)16)17(5)18-15(12,2)3/h7,12-14H,6,8-10H2,1-5H3/t12-,13+,14-,16-/m1/s1
InChIKey RNFDUKPNVJVSCK-HLPPOEQASA-N
Mol Weight 249.4 g/mol
Molecular Formula C16H27NO
Exact Mass 249.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSBm4PCcPks
Name (3aR,5aR,9aS,9bS)-1,3,3,5a,9-pentamethyl-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[1,2-c]isoxazole
CAS Registry Number 95529-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO
InChI InChI=1S/C16H27NO/c1-11-7-6-9-16(4)10-8-12-14(13(11)16)17(5)18-15(12,2)3/h7,12-14H,6,8-10H2,1-5H3/t12-,13+,14-,16-/m1/s1
InChIKey RNFDUKPNVJVSCK-HLPPOEQASA-N
Molecular Weight 249.398 g/mol
SMILES [C@@]12(N(OC([C@@]2(CC[C@@]2([C@]1(C(=CCC2)C)[H])C)[H])(C)C)C)[H]
SPLASH splash10-001i-0390000000-d7491a1ad8904e8713c2
Source of Spectrum J-50-1363-15
Synonyms (3aR,5aR,9aS,9bS)-1,3,3,5a,9-pentamethyl-4,5,6,7,9a,9b-hexahydro-3aH-naphtho[1,2-c][1,2]oxazole (3aR,5aR,9aS,9bS)-1,3,3,5a,9-pentamethyl-4,5,6,7,9a,9b-hexahydro-3aH-naphth[1,2-c]isoxazole
Wiley ID 1252431