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4,5-Pyridazinedicarboxylic acid, 3-(2-phenylethyl)-, dimethyl ester
SpectraBase Compound ID 211u1ok6qd1
InChI InChI=1S/C16H16N2O4/c1-21-15(19)12-10-17-18-13(14(12)16(20)22-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey KHEZNQMNQSCZLO-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2tC41NGxbx
Name 4,5-Pyridazinedicarboxylic acid, 3-(2-phenylethyl)-, dimethyl ester
CAS Registry Number 118510-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-21-15(19)12-10-17-18-13(14(12)16(20)22-2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey KHEZNQMNQSCZLO-UHFFFAOYSA-N
Molecular Weight 300.314 g/mol
SMILES c1(c(C(=O)OC)cnnc1CCc1ccccc1)C(=O)OC
SPLASH splash10-00lu-7892000000-43f4523adaaed3083cf6
Source of Spectrum AH-119-758-21
Synonyms Dimethyl 3-(2-phenylethyl)-4,5-pyridazinedicarboxylate
Wiley ID 1302769