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(-)-9-epi-Ambrox
SpectraBase Compound ID CsnkON2UKvN
InChI InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12?,13-,15-,16+/m0/s1
InChIKey YPZUZOLGGMJZJO-VMIYWNJYSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOQJzWqiWn3
Name (-)-9-epi-Ambrox
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
InChI InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12?,13-,15-,16+/m0/s1
InChIKey YPZUZOLGGMJZJO-VMIYWNJYSA-N
Instrument Name VG7070E
Ionization Type EI
Literature Reference DOI 10.1021/np060159a
Molecular Weight 236.399 g/mol
Optical Rotation [a]D25 = -6.2 (c = 1.0, CHCl3)
SMILES C1CC(C)(C)C2CC[C@@]3(C)OCC[C@]3([C@@]2(C)C1)[H]
SPLASH splash10-05g3-9450000000-de37692b22908a0f09c9
Source of Spectrum G4-69-1537-7
Wiley ID 1873976