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2-[1-(isoquinolin-1-yl)-1,2,3,4-tetrazol-5-yl]propanoic acid
SpectraBase Compound ID AqGConCxVBj
InChI InChI=1S/C13H11N5O2/c1-8(13(19)20)11-15-16-17-18(11)12-10-5-3-2-4-9(10)6-7-14-12/h2-8H,1H3,(H,19,20)
InChIKey MQDZPRJWKSOUSZ-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C13H11N5O2
Exact Mass 269.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MwZwLmMDo
Name 2-[1-(isoquinolin-1-yl)-1,2,3,4-tetrazol-5-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O2
InChI InChI=1S/C13H11N5O2/c1-8(13(19)20)11-15-16-17-18(11)12-10-5-3-2-4-9(10)6-7-14-12/h2-8H,1H3,(H,19,20)
InChIKey MQDZPRJWKSOUSZ-UHFFFAOYSA-N
Molecular Weight 269.264 g/mol
SMILES OC(C(c1[n](-c2c3c(cccc3)ccn2)nnn1)C)=O
SPLASH splash10-016s-1900000000-f2f30ababd8b93e90039
Source of Spectrum B-48-1861-0
Synonyms 2-[1-(1-isoquinolinyl)-1H-tetraazol-5-yl]propanoic acid
Wiley ID 1273068