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3,4-Dihydroxybenzylamine 3AC
SpectraBase Compound ID GYuPLPY38Mt
InChI InChI=1S/C13H15NO5/c1-8(15)14-7-11-4-5-12(18-9(2)16)13(6-11)19-10(3)17/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey KIYMCVJRHUWTHN-UHFFFAOYSA-N
Mol Weight 265.26 g/mol
Molecular Formula C13H15NO5
Exact Mass 265.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Mky3xDxNPD
Name 3,4-Dihydroxybenzylamine 3AC
Classification Chemical
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Exact Mass 265.095022582 u
Formula C13H15NO5
InChI InChI=1S/C13H15NO5/c1-8(15)14-7-11-4-5-12(18-9(2)16)13(6-11)19-10(3)17/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey KIYMCVJRHUWTHN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 265.265 g/mol
SMILES c1(c(OC(=O)C)ccc(c1)CNC(=O)C)OC(=O)C
SPLASH splash10-00e9-3920000000-aad8a2af5a2bdeab34ee
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_5692