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7-(2-oxanyloxy)-5-heptynoic acid

View entire compound with spectra: 1 MS (GC)

7-(2-oxanyloxy)-5-heptynoic acid
SpectraBase Compound ID LgFuKiQd21T
InChI InChI=1S/C12H18O4/c13-11(14)7-3-1-2-5-9-15-12-8-4-6-10-16-12/h12H,1,3-4,6-10H2,(H,13,14)
InChIKey HKOHULVCCDLYRK-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YhahaqOgJR
Name 7-(2-oxanyloxy)-5-heptynoic acid
CAS Registry Number 34506-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c13-11(14)7-3-1-2-5-9-15-12-8-4-6-10-16-12/h12H,1,3-4,6-10H2,(H,13,14)
InChIKey HKOHULVCCDLYRK-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES OC(CCCC#CCOC1OCCCC1)=O
SPLASH splash10-057r-9200000000-5fc9135a477d40040f40
Source of Spectrum B-40-278-3
Synonyms 7-(oxan-2-yloxy)hept-5-ynoic acid 7-tetrahydropyran-2-yloxyhept-5-ynoic acid
Wiley ID 1227323