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2-AMINO-4-METHOXY-5-SULFONIC-ACID-TOLUENE

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2-AMINO-4-METHOXY-5-SULFONIC-ACID-TOLUENE
SpectraBase Compound ID 244focUIRTu
InChI InChI=1S/C8H11NO4S/c1-5-3-8(14(10,11)12)7(13-2)4-6(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKey LRQPVZZRWRMIGW-UHFFFAOYSA-N
Mol Weight 217.24 g/mol
Molecular Formula C8H11NO4S
Exact Mass 217.040879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F38hQ6GVGBR
Name 2-AMINO-4-METHOXY-5-SULFONIC-ACID-TOLUENE
Compound Number 687-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11NO4S
InChI InChI=1S/C8H11NO4S/c1-5-3-8(14(10,11)12)7(13-2)4-6(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
InChIKey LRQPVZZRWRMIGW-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 217.240 g/mol
Sample ID 6459
Solvent DMSO-D6