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6,6'-(1,4-Buta-1,3-diynyl)-bis(2-naphthoic acid)
SpectraBase Compound ID 76xkTvbjuyB
InChI InChI=1S/C26H14O4/c27-25(28)23-11-9-19-13-17(5-7-21(19)15-23)3-1-2-4-18-6-8-22-16-24(26(29)30)12-10-20(22)14-18/h5-16H,(H,27,28)(H,29,30)
InChIKey PUFJEYUYHUKUHD-UHFFFAOYSA-N
Mol Weight 390.39 g/mol
Molecular Formula C26H14O4
Exact Mass 390.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zvdnmOfRVM
Name 6,6'-(1,4-Buta-1,3-diynyl)-bis(2-naphthoic acid)
Appearance Pale-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.089208927 u
Formula C26H14O4
InChI InChI=1S/C26H14O4/c27-25(28)23-11-9-19-13-17(5-7-21(19)15-23)3-1-2-4-18-6-8-22-16-24(26(29)30)12-10-20(22)14-18/h5-16H,(H,27,28)(H,29,30)
InChIKey PUFJEYUYHUKUHD-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201802848
Molecular Weight 390.394 g/mol
Quality 32
SMILES OC(C=1C=CC=2C(=CC=C(C#CC#CC3=CC=C4C=C(C(=O)O)C=CC4=C3)C2)C1)=O
SPLASH splash10-0006-0109000000-e4d83d8c5356d0c5ed26
Source of Spectrum QE-24-SM7-5 (DOI: 10.1002/chem.201802848)
Wiley ID 1901745