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4-AMINOSALICYLIC ACID, METHYL ESTER
SpectraBase Compound ID 1zA3TrRa87a
InChI InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3
InChIKey QQOXBFUTRLDXDP-UHFFFAOYSA-N
Mol Weight 167.16 g/mol
Molecular Formula C8H9NO3
Exact Mass 167.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kyDuHKsEmG
Name 4-Aminosalicylic acid ME
Classification Tuberculostatic
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Exact Mass 167.058243151 u
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3
InChIKey QQOXBFUTRLDXDP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 167.164 g/mol
SMILES c1(O)cc(ccc1C(=O)OC)N
SPLASH splash10-0kbr-9600000000-1892c8a7954f6ee76a41
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_214