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2-octynoic acid, isopentyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

2-octynoic acid, isopentyl ester
SpectraBase Compound ID 9dlK7UCzbcE
InChI InChI=1S/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3
InChIKey OTJSOSMJTUKXJR-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2IujJq6iy6
Name Isoamyl heptine carbonate
CAS Registry Number 68555-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-7,10-11H2,1-3H3
InChIKey OTJSOSMJTUKXJR-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C(#CC(=O)OCCC(C)C)CCCCC
SPLASH splash10-00di-9200000000-44f5933a7cc32ca31466
Source of Spectrum NP-4-7179-0
Synonyms 2-Octynoic acid, 3-methylbutyl ester Isoamyl 2-octynoate 2-Octynoic acid 3-methylbutyl ester isopentyl oct-2-ynoate 3-Methylbutyl oct-2-ynoate
Wiley ID 1104192