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5-Hydroxy-2-oxo-7-pentyl-1-benzopyran-3-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-Hydroxy-2-oxo-7-pentyl-1-benzopyran-3-carbonitrile
SpectraBase Compound ID DT3bCGnRh3f
InChI InChI=1S/C15H15NO3/c1-2-3-4-5-10-6-13(17)12-8-11(9-16)15(18)19-14(12)7-10/h6-8,17H,2-5H2,1H3
InChIKey DIGIRWPFGFAGPI-UHFFFAOYSA-N
Mol Weight 257.29 g/mol
Molecular Formula C15H15NO3
Exact Mass 257.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99VsHXjRHpF
Name 5-Hydroxy-2-oxo-7-pentyl-1-benzopyran-3-carbonitrile
Alternate Name(s) 5-Hydroxy-2-oxo-7-pentyl-chromene-3-carbonitrile 5-Oxidanyl-2-oxidanylidene-7-pentyl-chromene-3-carbonitrile 7-Amyl-5-hydroxy-2-keto-chromene-3-carbonitrile
CAS Registry Number 81482-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3
InChI InChI=1S/C15H15NO3/c1-2-3-4-5-10-6-13(17)12-8-11(9-16)15(18)19-14(12)7-10/h6-8,17H,2-5H2,1H3
InChIKey DIGIRWPFGFAGPI-UHFFFAOYSA-N
Molecular Weight 257.289 g/mol
SMILES Oc1c2C=C(C(Oc2cc(CCCCC)c1)=O)C#N
SPLASH splash10-0udi-0090000000-9183427a60bc8c55f487
Source of Spectrum I-60-313-0
Wiley ID 1260851