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2-[1-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrazol-5-yl]propanoic acid
SpectraBase Compound ID ECi7WEokZGJ
InChI InChI=1S/C11H9N5O2S/c1-6(10(17)18)9-13-14-15-16(9)11-12-7-4-2-3-5-8(7)19-11/h2-6H,1H3,(H,17,18)
InChIKey KCWAUCPHBFHXMN-UHFFFAOYSA-N
Mol Weight 275.29 g/mol
Molecular Formula C11H9N5O2S
Exact Mass 275.047696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FglGoOtsrxN
Name 2-[1-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrazol-5-yl]propanoic acid
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Formula C11H9N5O2S
InChI InChI=1S/C11H9N5O2S/c1-6(10(17)18)9-13-14-15-16(9)11-12-7-4-2-3-5-8(7)19-11/h2-6H,1H3,(H,17,18)
InChIKey KCWAUCPHBFHXMN-UHFFFAOYSA-N
Molecular Weight 275.286 g/mol
SMILES OC(C(c1[n](-c2nc3ccccc3s2)nnn1)C)=O
SPLASH splash10-002f-9810000000-22bf8172faf7272a91b5
Source of Spectrum B-48-1861-0
Synonyms 2-[1-(1,3-benzothiazol-2-yl)-5-tetrazolyl]propanoic acid 2-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]propanoic acid 2-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]propionic acid
Wiley ID 1278848