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Orthocaine

View entire compound with spectra: 2 NMR, 2 FTIR, 1 UV-Vis, and 3 MS (GC)

Orthocaine
SpectraBase Compound ID Alq3R5VxuWl
InChI InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3
InChIKey VNQABZCSYCTZMS-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 JBQqO7Ao1hH
Name Orthocaine
Alternate Name(s) 3-Amino-4-hydroxy-benzoic acid methyl ester Aminobenz Benzoic acid, 3-amino-4-hydroxy-, methyl ester Methyl 3-amino-4-hydroxy-benzoate Methyl 3-azanyl-4-oxidanyl-benzoate Methyl 4-hydroxy-3-aminobenzoate Methyl m-amino-p-hydroxybenzoate Orthoderm Orthoform Orthoform new 3-Amino-4-hydroxybenzoic acid methyl ester AI3-04738 BRN 0608715 EINECS 208-627-3 NSC 9813
CAS Registry Number 536-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3
InChI InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3
InChIKey VNQABZCSYCTZMS-UHFFFAOYSA-N
Molecular Weight 167.164 g/mol
SMILES Nc1c(ccc(c1)C(OC)=O)O
SPLASH splash10-00kr-2900000000-669a482d0a562d2ed194
Source of Spectrum JZ-1992-259-0
Wiley ID 1163536