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8-Hydroxyheptadeca-4,6-diyn-3-yl ethanoate
SpectraBase Compound ID 6uSbSGI5JVY
InChI InChI=1S/C19H30O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h18-19,21H,4-11,14H2,1-3H3
InChIKey VAKXLUHTYNZAFY-UHFFFAOYSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PVBYlJk8
Name 8-Hydroxyheptadeca-4,6-diyn-3-yl ethanoate
Appearance Yellowish viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-4-6-7-8-9-10-11-14-18(21)15-12-13-16-19(5-2)22-17(3)20/h18-19,21H,4-11,14H2,1-3H3
InChIKey VAKXLUHTYNZAFY-UHFFFAOYSA-N
Instrument Name VG 70 S
Ionization Type EI
Literature Reference DOI 10.1021/np0702133
Molecular Weight 306.446 g/mol
Optical Rotation [a]D20 = -94.5 (c = 0.78, CHCl3/0.75% ethanol)
Reported Formula C19H30O3
SMILES OC(C#CC#CC(OC(C)=O)CC)CCCCCCCCC
SPLASH splash10-052f-9523000000-3c6b37cf775742c1b50d
Source of Spectrum G4-70-1568-1
Wiley ID 1876801