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5-Heptynoic acid, 7-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester
SpectraBase Compound ID HNOwyL2bS2A
InChI InChI=1S/C13H20O4/c1-15-12(14)8-4-2-3-6-10-16-13-9-5-7-11-17-13/h13H,2,4-5,7-11H2,1H3
InChIKey ZVQGVLBFVUXUFN-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MU5oPs0lsj
Name 5-Heptynoic acid, 7-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester
CAS Registry Number 50781-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-15-12(14)8-4-2-3-6-10-16-13-9-5-7-11-17-13/h13H,2,4-5,7-11H2,1H3
InChIKey ZVQGVLBFVUXUFN-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C(#CCCCC(=O)OC)COC1OCCCC1
SPLASH splash10-052r-9300000000-927b06d134503d7b69e3
Source of Spectrum B-40-278-4
Synonyms 7-(2-oxanyloxy)-5-heptynoic acid methyl ester Methyl 7-tetrahydropyran-2-yloxyhept-5-ynoate Methyl 7-(oxan-2-yloxy)hept-5-ynoate
Wiley ID 1242874