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(E)-3-Chloro-4-[(8-(phenylethynyl)naphthalen-2-yl)ethenyl]benzoic acid
SpectraBase Compound ID Hj8waP5EmFh
InChI InChI=1S/C27H17ClO2/c28-26-18-24(27(29)30)16-15-23(26)14-11-20-10-13-22-8-4-7-21(25(22)17-20)12-9-19-5-2-1-3-6-19/h1-8,10-11,13-18H,(H,29,30)/b14-11+
InChIKey PNBSRKXTVZRCDL-SDNWHVSQSA-N
Mol Weight 408.88 g/mol
Molecular Formula C27H17ClO2
Exact Mass 408.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUI72JOIY9L
Name (E)-3-Chloro-4-[(8-(phenylethynyl)naphthalen-2-yl)ethenyl]benzoic acid
Alternate Name(s) (E)-3-chloro-4-(2-(8-(phenylethynyl)naphthalen-2-yl)vinyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17ClO2
InChI InChI=1S/C27H17ClO2/c28-26-18-24(27(29)30)16-15-23(26)14-11-20-10-13-22-8-4-7-21(25(22)17-20)12-9-19-5-2-1-3-6-19/h1-8,10-11,13-18H,(H,29,30)/b14-11+
InChIKey PNBSRKXTVZRCDL-SDNWHVSQSA-N
Molecular Weight 408.884 g/mol
SMILES OC(c1cc(Cl)c(cc1)\C=C\c1ccc2c(c(ccc2)C#Cc2ccccc2)c1)=O
SPLASH splash10-004i-0029200000-686614c3d9bf0cfc2a78
Source of Spectrum CMC-10-1388-11i
Wiley ID 1785173