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5-(4-Hydroxybut-1-yn-1-yl)-canthin-4-one
SpectraBase Compound ID BX2wYBDUur
InChI InChI=1S/C18H12N2O2/c21-10-4-3-5-12-11-20-15-7-2-1-6-13(15)14-8-9-19-16(17(14)20)18(12)22/h1-2,6-9,11,21H,4,10H2
InChIKey ADHXBORIIUGFCW-UHFFFAOYSA-N
Mol Weight 288.31 g/mol
Molecular Formula C18H12N2O2
Exact Mass 288.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHlV4Jw5t2T
Name 5-(4-Hydroxybut-1-yn-1-yl)-canthin-4-one
Alternate Name(s) 5-(4-hydroxybut-1-yn-1-yl)-4H-indolo[3,2,1-de][1,5]naphthyridin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O2
InChI InChI=1S/C18H12N2O2/c21-10-4-3-5-12-11-20-15-7-2-1-6-13(15)14-8-9-19-16(17(14)20)18(12)22/h1-2,6-9,11,21H,4,10H2
InChIKey ADHXBORIIUGFCW-UHFFFAOYSA-N
Molecular Weight 288.306 g/mol
SMILES OCCC#CC=1C(c2c3c(c4ccccc4[n]3C1)ccn2)=O
SPLASH splash10-0077-0390000000-90dba2376a883559586f
Source of Spectrum APC-349-721-25c
Wiley ID 1799235