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3.beta.-Mesyloxy-9-epi-ambrox
SpectraBase Compound ID IxD0f3Zk71p
InChI InChI=1S/C17H30O4S/c1-15(2)12-6-10-17(4)13(8-11-20-17)16(12,3)9-7-14(15)21-22(5,18)19/h12-14H,6-11H2,1-5H3/t12?,13-,14-,16-,17+/m0/s1
InChIKey KRDIFFNWUZVMOI-UDDABOBXSA-N
Mol Weight 330.48 g/mol
Molecular Formula C17H30O4S
Exact Mass 330.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCW6g2OSWe2
Name 3.beta.-Mesyloxy-9-epi-ambrox
Appearance Pale yellow cubic crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4S
InChI InChI=1S/C17H30O4S/c1-15(2)12-6-10-17(4)13(8-11-20-17)16(12,3)9-7-14(15)21-22(5,18)19/h12-14H,6-11H2,1-5H3/t12?,13-,14-,16-,17+/m0/s1
InChIKey KRDIFFNWUZVMOI-UDDABOBXSA-N
Instrument Name VG7070E
Ionization Type EI
Literature Reference DOI 10.1021/np060159a
Molecular Weight 330.483 g/mol
Optical Rotation [a]D25 = -4.8 (c = 0.08, CHCl3)
SMILES C1[C@](OS(C)(=O)=O)(C(C)(C)C2CC[C@@]3(C)OCC[C@]3([C@@]2(C)C1)[H])[H]
SPLASH splash10-014r-0944000000-2d15915b771d692993ec
Source of Spectrum G4-69-1537-27
Wiley ID 1873975