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(2R*,8S*)-2-(5-Carboxypent-2-ynyl)-8-pentyloxocane

View entire compound with spectra: 1 MS (GC)

(2R*,8S*)-2-(5-Carboxypent-2-ynyl)-8-pentyloxocane
SpectraBase Compound ID J3ElgizwqiR
InChI InChI=1S/C18H30O3/c1-2-3-6-11-16-12-7-4-8-13-17(21-16)14-9-5-10-15-18(19)20/h16-17H,2-4,6-8,10-15H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKey MCLDNODFLUMNIR-DLBZAZTESA-N
Mol Weight 294.43 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q5FAmriAFk
Name (2R*,8S*)-2-(5-Carboxypent-2-ynyl)-8-pentyloxocane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-2-3-6-11-16-12-7-4-8-13-17(21-16)14-9-5-10-15-18(19)20/h16-17H,2-4,6-8,10-15H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKey MCLDNODFLUMNIR-DLBZAZTESA-N
Molecular Weight 294.435 g/mol
SMILES OC(CCC#CC[C@@]1(O[C@@](CCCCC)(CCCCC1)[H])[H])=O
SPLASH splash10-0a4i-9000000000-c5180c4cff72de8b4bde
Source of Spectrum KC-0-99-18
Wiley ID 775839