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3-(4-(1-Hydroxyethyl)phenyl)-4-acetylsydnone
SpectraBase Compound ID 3LgKPnktLKM
InChI InChI=1S/C12H12N2O4/c1-7(15)9-3-5-10(6-4-9)14-11(8(2)16)12(17)18-13-14/h3-7,15H,1-2H3
InChIKey IXUGSNZMUJOLPH-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8t5uIVvrRNp
Name 3-(4-(1-Hydroxyethyl)phenyl)-4-acetylsydnone
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-7(15)9-3-5-10(6-4-9)14-11(8(2)16)12(17)18-13-14/h3-7,15H,1-2H3
InChIKey IXUGSNZMUJOLPH-UHFFFAOYSA-N
Molecular Weight 248.238 g/mol
SMILES OC(c1ccc(-[n+]2c(c([O-])on2)C(=O)C)cc1)C
SPLASH splash10-0002-0900000000-ad5f2b18fbe27b46f424
Source of Spectrum QA-42-989-7
Synonyms 4-acetyl-3-[4-(1-hydroxyethyl)phenyl]-1,2,3-oxadiazol-3-ium-5-olate
Wiley ID 862104