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2-Nonynoic acid methyl ester
SpectraBase Compound ID 565pPk0H5Kj
InChI InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72jIe4WSYAt
Name 2-Nonynoic acid, methyl ester
Alternate Name(s) 1-Octynecarboxylic acid, methyl ester Methyl 2-nonynoate Methyl non-2-ynoate Methyl octin carbonate Methyl octine carbonate Methyl octyne carbonate Methyloctyne carboxylate non-2-ynoic acid methyl ester Octynecarboxylic acid, methyl ester AI3-35983 BRN 1759870 EINECS 203-909-2 FEMA NO. 2726 NSC 72102
CAS Registry Number 111-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
SMILES C(CC#CC(=O)OC)CCCC
SPLASH splash10-006x-9100000000-a7d680cf61c051573c0f
Source of Spectrum MG-161-0-0
Wiley ID 1164496