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4-Hept-1-ynylbenzoic acid
SpectraBase Compound ID 99GqOOJ9tfO
InChI InChI=1S/C14H16O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-5H2,1H3,(H,15,16)
InChIKey MXTSZHAMRQENQA-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTqpAxb4C8L
Name 4-Hept-1-ynylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-5H2,1H3,(H,15,16)
InChIKey MXTSZHAMRQENQA-UHFFFAOYSA-N
Molecular Weight 216.280 g/mol
SMILES OC(c1ccc(C#CCCCCC)cc1)=O
SPLASH splash10-00p0-0910000000-8eff5b5b85a0f33235df
Source of Spectrum CV-0-175-0
Wiley ID 849269