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Dodecyl 2-(phenylethynyl)benzoate

View entire compound with spectra: 1 MS (GC)

Dodecyl 2-(phenylethynyl)benzoate
SpectraBase Compound ID H8CTvOFtHxh
InChI InChI=1S/C27H34O2/c1-2-3-4-5-6-7-8-9-10-16-23-29-27(28)26-20-15-14-19-25(26)22-21-24-17-12-11-13-18-24/h11-15,17-20H,2-10,16,23H2,1H3
InChIKey HITZCCCERCPXKB-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C27H34O2
Exact Mass 390.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjyDan0YoTB
Name Dodecyl 2-(phenylethynyl)benzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O2
InChI InChI=1S/C27H34O2/c1-2-3-4-5-6-7-8-9-10-16-23-29-27(28)26-20-15-14-19-25(26)22-21-24-17-12-11-13-18-24/h11-15,17-20H,2-10,16,23H2,1H3
InChIKey HITZCCCERCPXKB-UHFFFAOYSA-N
Molecular Weight 390.567 g/mol
SMILES C(#Cc1ccccc1)c1c(C(=O)OCCCCCCCCCCCC)cccc1
SPLASH splash10-00di-0090000000-f6d03f2f752f20f8112c
Source of Spectrum F-65-1779-1d
Wiley ID 1681601