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(-)-cassine
SpectraBase Compound ID HH7kxgDNOY0
InChI InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1
InChIKey QPRMGHKASRLPJP-FGTMMUONSA-N
Mol Weight 297.5 g/mol
Molecular Formula C18H35NO2
Exact Mass 297.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cguQFKfTbZ
Name (-)-cassine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H35NO2
InChI InChI=1S/C18H35NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h16-19,21H,3-14H2,1-2H3/t16-,17+,18-/m1/s1
InChIKey QPRMGHKASRLPJP-FGTMMUONSA-N
Literature Reference DOI 10.1002/rcm.8172
Molecular Weight 297.483 g/mol
SMILES N1[C@@]([C@](O)(CC[C@@]1(CCCCCCCCCCC(=O)C)[H])[H])(C)[H]
SPLASH splash10-03di-8930000000-0e2a0e2fc81c0056a1ef
Source of Spectrum RCM-32-SM7-1
Synonyms 12-((2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl)dodecan-2-one
Wiley ID 1813840