SpectraBase Compound ID | 4UWHU3aKWcu |
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InChI | InChI=1S/C12H13NO3S/c1-8(6-11(14)15)12(16)13-9-4-3-5-10(7-9)17-2/h3-7H,1-2H3,(H,13,16)(H,14,15) |
InChIKey | NPUJZEFOJRNOQC-UHFFFAOYSA-N |
Mol Weight | 251.3 g/mol |
Molecular Formula | C12H13NO3S |
Exact Mass | 251.061614 g/mol |
SpectraBase Spectrum ID | ER94iZNH6b5 |
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Name | 3-{[m-(methylthio)phenyl]carbamoyl]crotonic acid |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H13NO3S |
InChI | InChI=1S/C12H13NO3S/c1-8(6-11(14)15)12(16)13-9-4-3-5-10(7-9)17-2/h3-7H,1-2H3,(H,13,16)(H,14,15) |
InChIKey | NPUJZEFOJRNOQC-UHFFFAOYSA-N |
Sadtler IR Number | 27167 |
Sadtler UV Number | 27164N |
Solvent | Methanol |