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2-(2'-Pentylethenyl)-1,3-pyrimidine
SpectraBase Compound ID JHdV4bVoEqo
InChI InChI=1S/C11H16N2/c1-2-3-4-5-6-8-11-12-9-7-10-13-11/h6-10H,2-5H2,1H3/b8-6+
InChIKey WORVKRRVWKBCHN-SOFGYWHQSA-N
Mol Weight 176.26 g/mol
Molecular Formula C11H16N2
Exact Mass 176.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kK3tXuOrjB
Name 2-(2'-Pentylethenyl)-1,3-pyrimidine
Alternate Name(s) (E)-2-(hept-1-enyl)pyrimidine 2-[(1E)-1-heptenyl]pyrimidine (E)-2-(hept-1-en-1-yl)pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16N2
InChI InChI=1S/C11H16N2/c1-2-3-4-5-6-8-11-12-9-7-10-13-11/h6-10H,2-5H2,1H3/b8-6+
InChIKey WORVKRRVWKBCHN-SOFGYWHQSA-N
Literature Reference DOI 10.1002/cjoc.20040220913
Molecular Weight 176.263 g/mol
SMILES c1nc(\C=C\CCCCC)ncc1
SPLASH splash10-0159-0900000000-090267d02100fad7a5aa
Source of Spectrum CJC-22-943-3b
Wiley ID 1774005