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Isocinchomeronic acid dipropyl ester
SpectraBase Compound ID zmj4OwTenR
InChI InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey IITCWRFYJWUUPC-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFCW4yHrE4j
Name MGK 326
CAS Registry Number 136-45-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 251.115758027 u
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-3-7-17-12(15)10-5-6-11(14-9-10)13(16)18-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey IITCWRFYJWUUPC-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
Nominal Mass 251 u
Number of Peaks 83
SMILES c1cc(C(=O)OCCC)cnc1C(=O)OCCC
SPLASH splash10-014i-1900000000-4036d8a5e42f3782da4f
Source of Spectrum Dr. Rolf Kuehnle
Synonyms dipropyl 2,5-pyridinedicarboxylate
Technique GC/MS
Wiley ID WID_MSPA_4224