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13-Tetradecynoic acid, 4-methyl-, methyl ester
SpectraBase Compound ID BP5TlUkjyIo
InChI InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-15(2)13-14-16(17)18-3/h1,15H,5-14H2,2-3H3
InChIKey QZXRBCMOZTXTOZ-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InqDPisrYee
Name 13-Tetradecynoic acid, 4-methyl-, methyl ester
Alternate Name(s) Methyl 4-methyl-13-tetradecynoate
CAS Registry Number 103344-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-15(2)13-14-16(17)18-3/h1,15H,5-14H2,2-3H3
InChIKey QZXRBCMOZTXTOZ-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
SMILES C(#C)CCCCCCCCC(CCC(=O)OC)C
SPLASH splash10-0ac9-9000000000-a1a4a72e4e34e48bf181
Source of Spectrum I-64-462-0
Wiley ID 1256170