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3-[(5'-Acetyl-2'-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4-[(2"-cyanoethyl)sulfanyl]-6-methylpyrimidine
SpectraBase Compound ID 9fU7awbgn57
InChI InChI=1S/C19H17N3O3S/c1-12-18(13(2)23)19(26-9-3-8-20)22-17(21-12)7-5-14-4-6-15-16(10-14)25-11-24-15/h4-7,10H,3,9,11H2,1-2H3/b7-5+
InChIKey YCKSHCMZASIBMF-FNORWQNLSA-N
Mol Weight 367.42 g/mol
Molecular Formula C19H17N3O3S
Exact Mass 367.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJhhTN22YNH
Name 3-[(5'-Acetyl-2'-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4-[(2"-cyanoethyl)sulfanyl]-6-methylpyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3O3S
InChI InChI=1S/C19H17N3O3S/c1-12-18(13(2)23)19(26-9-3-8-20)22-17(21-12)7-5-14-4-6-15-16(10-14)25-11-24-15/h4-7,10H,3,9,11H2,1-2H3/b7-5+
InChIKey YCKSHCMZASIBMF-FNORWQNLSA-N
Molecular Weight 367.423 g/mol
SMILES c1(c(c(nc(n1)\C=C\c1cc2c(OCO2)cc1)C)C(=O)C)SCCC#N
SPLASH splash10-0a4i-0009000000-919baf3f13b971467981
Source of Spectrum AH-139-584-13
Synonyms 3-[5-Acetyl-2-((E)-2-benzo[1,3]dioxol-5-yl-vinyl)-6-methyl-pyrimidin-4-ylsulfanyl]-propionitrile
Wiley ID 1695666