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N-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-1-(1H-tetrazol-5-yl)-butyl]-acetamide
SpectraBase Compound ID 7gRwMPOTzmU
InChI InChI=1S/C15H16N6O3/c1-9(22)16-12(13-17-19-20-18-13)7-4-8-21-14(23)10-5-2-3-6-11(10)15(21)24/h2-3,5-6,12H,4,7-8H2,1H3,(H,16,22)(H,17,18,19,20)
InChIKey TYIBNVCNEKXNAM-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C15H16N6O3
Exact Mass 328.128388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lax3VISA8Cw
Name N-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-1-(1H-tetrazol-5-yl)-butyl]-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.128388396 u
Formula C15H16N6O3
InChI InChI=1S/C15H16N6O3/c1-9(22)16-12(13-17-19-20-18-13)7-4-8-21-14(23)10-5-2-3-6-11(10)15(21)24/h2-3,5-6,12H,4,7-8H2,1H3,(H,16,22)(H,17,18,19,20)
InChIKey TYIBNVCNEKXNAM-UHFFFAOYSA-N
Molecular Weight 328.332 g/mol
SMILES C1=CC2=C(C(N(C2=O)CCCC(C2=NN=NN2)NC(C)=O)=O)C=C1