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12-(2-Chloroethyl)-5-methyl-5H-naphtho[1,2-c]chromene-9-carbonitrile
SpectraBase Compound ID 4eLCs6kREJe
InChI InChI=1S/C21H16ClNO/c1-13-21-17-5-3-2-4-16(17)15(8-9-22)11-19(21)18-10-14(12-23)6-7-20(18)24-13/h2-7,10-11,13H,8-9H2,1H3
InChIKey ZZZIEGWFPIIJRO-UHFFFAOYSA-N
Mol Weight 333.82 g/mol
Molecular Formula C21H16ClNO
Exact Mass 333.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kbfFZBnKFK
Name 12-(2-Chloroethyl)-5-methyl-5H-naphtho[1,2-c]chromene-9-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClNO
InChI InChI=1S/C21H16ClNO/c1-13-21-17-5-3-2-4-16(17)15(8-9-22)11-19(21)18-10-14(12-23)6-7-20(18)24-13/h2-7,10-11,13H,8-9H2,1H3
InChIKey ZZZIEGWFPIIJRO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102761m
Molecular Weight 333.818 g/mol
SMILES c1(ccc2OC(C)c3c(cc(c4c3cccc4)CCCl)-c2c1)C#N
SPLASH splash10-0159-3097000000-92a34f091cd5c73db2eb
Source of Spectrum A1-13-14/SMS11-5w
Synonyms 12-(2-chloroethyl)-5-methyl-5H-naphtho[1,2-c][1]benzopyran-9-carbonitrile
Wiley ID 1749820