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Allotetrahydro-histrionicotoxin
SpectraBase Compound ID FIloRjn6UQd
InChI InChI=1S/C19H29NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1,4,6,12,16-18,20-21H,2,5,7-11,13-15H2/b12-6+/t16?,17-,18-,19-/m1/s1
InChIKey WJYROBOZZPJHAD-DEJTZGQESA-N
Mol Weight 287.45 g/mol
Molecular Formula C19H29NO
Exact Mass 287.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPDX225MB7w
Name Allotetrahydro-histrionicotoxin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO
InChI InChI=1S/C19H29NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1,4,6,12,16-18,20-21H,2,5,7-11,13-15H2/b12-6+/t16?,17-,18-,19-/m1/s1
InChIKey WJYROBOZZPJHAD-DEJTZGQESA-N
Molecular Weight 287.447 g/mol
SMILES N1C(CCC[C@@]11[C@@]([C@@](CCC1)(O)[H])(\C=C\C=C)[H])CCCC#C
SPLASH splash10-007k-3930000000-cd648617649863454e52
Source of Spectrum X2-68-1556-1575
Synonyms 2-(1',3'-Butadien-1'-yl)-6-spiro[2''-(4'''-pentyn-1'''-yl)-3''-hydroxycyclohexano]-piperidine
Wiley ID 1610162