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Isopyrin-M (nor-HO-) -H2O 2AC @

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Isopyrin-M (nor-HO-) -H2O 2AC @
SpectraBase Compound ID JoLPGOPDmAd
InChI InChI=1S/C17H19N3O3/c1-11(2)18(13(4)21)16-12(3)19(14(5)22)20(17(16)23)15-9-7-6-8-10-15/h6-10H,1H2,2-5H3
InChIKey FECMGMCNJLDPHU-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H19N3O3
Exact Mass 313.142641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8Zyyc2xceJ3
Name Isopyrin-m (nor-ho-) -H2O 2ac @P988
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.142641481 u
Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-11(2)18(13(4)21)16-12(3)19(14(5)22)20(17(16)23)15-9-7-6-8-10-15/h6-10H,1H2,2-5H3
InChIKey FECMGMCNJLDPHU-UHFFFAOYSA-N
SMILES C=1(N2C(=O)C(N(C(=C)C)C(C)=O)=C(C)N2C(=O)C)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948196