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4-(5-Heptyl-2-pyrimidinyl)phenyl 2-chloro-3-methylbutanoate
SpectraBase Compound ID 7ICbR24Yy3v
InChI InChI=1S/C22H29ClN2O2/c1-4-5-6-7-8-9-17-14-24-21(25-15-17)18-10-12-19(13-11-18)27-22(26)20(23)16(2)3/h10-16,20H,4-9H2,1-3H3
InChIKey PHDGAURDIAKSFN-UHFFFAOYSA-N
Mol Weight 388.94 g/mol
Molecular Formula C22H29ClN2O2
Exact Mass 388.191756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gsr3Ay7oRVN
Name 4-(5-Heptyl-2-pyrimidinyl)phenyl 2-chloro-3-methylbutanoate
CAS Registry Number 111156-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClN2O2
InChI InChI=1S/C22H29ClN2O2/c1-4-5-6-7-8-9-17-14-24-21(25-15-17)18-10-12-19(13-11-18)27-22(26)20(23)16(2)3/h10-16,20H,4-9H2,1-3H3
InChIKey PHDGAURDIAKSFN-UHFFFAOYSA-N
Molecular Weight 388.939 g/mol
SMILES C(Cl)(C(C)C)C(=O)Oc1ccc(cc1)-c1ncc(cn1)CCCCCCC
SPLASH splash10-00dr-5970000000-e52f4f9b861868d93ba1
Synonyms Butanoic acid, 2-chloro-3-methyl-, 4-(5-heptyl-2-pyrimidinyl)phenyl ester 2-Chloro-3-methylbutanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloro-3-methylbutanoate [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-butanoate [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate
Wiley ID 1476119