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8(R)-,9Z-8-Hydroxyoctadec-9-en-5(S)-olide (PsiB.alpha.)
SpectraBase Compound ID BFy0GpIopcX
InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17-12-10-13-18(20)21-17/h9,11,16-17,19H,2-8,10,12-15H2,1H3/b11-9-/t16-,17-/m0/s1
InChIKey NKPIBBODUUDLIE-FAGFETBGSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NGA9LF7ya
Name 8(R)-,9Z-8-Hydroxyoctadec-9-en-5(S)-olide (PsiB.alpha.)
Alternate Name(s) (6S)-6-[(3R,4E)-3-hydroxy-4-tridecenyl]tetrahydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17-12-10-13-18(20)21-17/h9,11,16-17,19H,2-8,10,12-15H2,1H3/b11-9-/t16-,17-/m0/s1
InChIKey NKPIBBODUUDLIE-FAGFETBGSA-N
Molecular Weight 296.451 g/mol
SMILES O[C@@](\C=C/CCCCCCCC)(CC[C@]1(OC(=O)CCC1)[H])[H]
SPLASH splash10-03di-0900000000-57230c11e239677acb8f
Source of Spectrum AT-31-2840-2
Wiley ID 835801