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2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl isobutyl ester
SpectraBase Compound ID sjnzgjuwp9
InChI InChI=1S/C18H27NO4/c1-12(2)9-10-14(5)23-18(21)16-8-6-7-15(19-16)17(20)22-11-13(3)4/h6-8,12-14H,9-11H2,1-5H3
InChIKey ZYCWVTCXGHWIES-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7A4Hf07T6o
Name 2,6-Pyridinedicarboxylic acid, 5-methylhex-2-yl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-12(2)9-10-14(5)23-18(21)16-8-6-7-15(19-16)17(20)22-11-13(3)4/h6-8,12-14H,9-11H2,1-5H3
InChIKey ZYCWVTCXGHWIES-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C(OC(c1nc(ccc1)C(OC(CCC(C)C)C)=O)=O)C(C)C
SPLASH splash10-0axr-6930000000-a2da1ce0c7029870e987
Source of Spectrum TIPS-2023-941-0
Wiley ID 1885647