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1-(2-n-Heptyl-1-(2-fluorophenyl)-4,5-dimethyl-1H-pyrrol-3-yl)ethanone
SpectraBase Compound ID JFuPf1Eldis
InChI InChI=1S/C21H28FNO/c1-5-6-7-8-9-14-20-21(17(4)24)15(2)16(3)23(20)19-13-11-10-12-18(19)22/h10-13H,5-9,14H2,1-4H3
InChIKey JVPBGHRKYRAZJD-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C21H28FNO
Exact Mass 329.215493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITFQHblQGuX
Name 1-(2-n-Heptyl-1-(2-fluorophenyl)-4,5-dimethyl-1H-pyrrol-3-yl)ethanone
Alternate Name(s) 1-(1-(2-fluorophenyl)-2-heptyl-4,5-dimethyl-1H-pyrrol-3-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28FNO
InChI InChI=1S/C21H28FNO/c1-5-6-7-8-9-14-20-21(17(4)24)15(2)16(3)23(20)19-13-11-10-12-18(19)22/h10-13H,5-9,14H2,1-4H3
InChIKey JVPBGHRKYRAZJD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900522g
Molecular Weight 329.459 g/mol
SMILES c1(-[n]2c(c(c(c2CCCCCCC)C(C)=O)C)C)c(cccc1)F
SPLASH splash10-002f-0096000000-8be7e68f9552826e26e8
Source of Spectrum A1-11-2031/SMS15-5w
Wiley ID 1756752