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2-[2-(5-Amino-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 1fpR0UCbP9Q
InChI InChI=1S/C12H11N5O2/c13-12-14-9(15-16-12)5-6-17-10(18)7-3-1-2-4-8(7)11(17)19/h1-4H,5-6H2,(H3,13,14,15,16)
InChIKey KSDXFQADPHAOLF-UHFFFAOYSA-N
Mol Weight 257.25 g/mol
Molecular Formula C12H11N5O2
Exact Mass 257.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qpKb6bbrnY
Name 2-[2-(5-Amino-1H-1,2,4-triazol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CAS Registry Number 313499-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5O2
InChI InChI=1S/C12H11N5O2/c13-12-14-9(15-16-12)5-6-17-10(18)7-3-1-2-4-8(7)11(17)19/h1-4H,5-6H2,(H3,13,14,15,16)
InChIKey KSDXFQADPHAOLF-UHFFFAOYSA-N
Molecular Weight 257.253 g/mol
SMILES [nH]1nc(nc1N)CCN1C(c2ccccc2C1=O)=O
SPLASH splash10-03di-9810000000-51aa9292213a386b7f2a
Source of Spectrum AD-0-2532-0
Synonyms 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]isoindoline-1,3-dione 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]isoindoline-1,3-quinone 2-[2-(3-azanyl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione Isoindole-1,3(2H)-dione, 2-[2-(5-amino-1,2,4-triazol-3-yl)ethyl]-
Wiley ID 1421487