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5-(2-(Cyclopropylmethyl)-5-methoxyphenyl)-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID 2jgf7PTYGfk
InChI InChI=1S/C16H16N2O/c1-19-14-5-4-13(6-11-2-3-11)15(8-14)16-7-12(9-17)10-18-16/h4-5,7-8,10-11,18H,2-3,6H2,1H3
InChIKey LAKPZDJFTINZKS-UHFFFAOYSA-N
Mol Weight 252.32 g/mol
Molecular Formula C16H16N2O
Exact Mass 252.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3rT5YO8WRS
Name 5-(2-(Cyclopropylmethyl)-5-methoxyphenyl)-1H-pyrrole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O
InChI InChI=1S/C16H16N2O/c1-19-14-5-4-13(6-11-2-3-11)15(8-14)16-7-12(9-17)10-18-16/h4-5,7-8,10-11,18H,2-3,6H2,1H3
InChIKey LAKPZDJFTINZKS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00141
Molecular Weight 252.317 g/mol
SMILES [nH]1c(cc(c1)C#N)-c1c(ccc(c1)OC)CC1CC1
SPLASH splash10-0aia-9010000000-58c3c8d491c91dd693ab
Source of Spectrum A1-18-852/SM17-4b
Wiley ID 1805204