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6,9-Tridecadien-3-yn-7,8-D2-1-ol, [S-(Z,Z)]-
SpectraBase Compound ID 6y2HwoqiN17
InChI InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h4-5,7-8,14H,2-3,6,9,12-13H2,1H3/b5-4-,8-7-/i6D,7D/t6-/m0/s1
InChIKey PLOARXRGOCCDRV-MYUQJEAZSA-N
Mol Weight 194.31 g/mol
Molecular Formula C13H182D2O
Exact Mass 194.163969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45vspDESCnW
Name 6,9-Tridecadien-3-yn-7,8-D2-1-ol, [S-(Z,Z)]-
Alternate Name(s) (8S,6Z,9Z)-[7,8-dideuterio]trideca-6,9-dien-3-yn-1-ol
CAS Registry Number 129815-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18D2O
InChI InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h4-5,7-8,14H,2-3,6,9,12-13H2,1H3/b5-4-,8-7-/i6D,7D/t6-/m0/s1
InChIKey PLOARXRGOCCDRV-MYUQJEAZSA-N
Molecular Weight 194.314 g/mol
SMILES OCCC#CC\C=C/([C@](\C=C/CCC)([2D])[H])[2D]
SPLASH splash10-000x-9100000000-af44ac82906d396a682c
Source of Spectrum H-73-760-9
Wiley ID 1189086