![O{4'-[3",4"-(Methylenedioxy)benzylcarbonyl]-3'-hydroxyphenyl}-dimethyl-thiocarbamate](/api/spectrum/2EuuWRdpFCK/structure.png?h=300&w=458 "O{4'-[3\",4\"-(Methylenedioxy)benzylcarbonyl]-3'-hydroxyphenyl}-dimethyl-thiocarbamate")
| SpectraBase Compound ID | 7RL0Zcs3ujD |
|---|---|
| InChI | InChI=1S/C18H17NO5S/c1-19(2)18(25)24-12-4-5-13(15(21)9-12)14(20)7-11-3-6-16-17(8-11)23-10-22-16/h3-6,8-9,21H,7,10H2,1-2H3 |
| InChIKey | KGSJSTUFDHPVBW-UHFFFAOYSA-N |
| Mol Weight | 359.4 g/mol |
| Molecular Formula | C18H17NO5S |
| Exact Mass | 359.082744 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2EuuWRdpFCK |
|---|---|
| Name | O{4'-[3",4"-(Methylenedioxy)benzylcarbonyl]-3'-hydroxyphenyl}-dimethyl-thiocarbamate |
| Alternate Name(s) | N,N-dimethylcarbamothioic acid O-[4-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-3-hydroxyphenyl]ester N,N-dimethylthiocarbamic acid O-[4-[2-(1,3-benzodioxol-5-yl)acetyl]-3-hydroxy-phenyl]ester O-[4-(1,3-benzodioxol-5-ylacetyl)-3-hydroxyphenyl]dimethylthiocarbamate O-[4-[2-(1,3-benzodioxol-5-yl)acetyl]-3-hydroxy-phenyl]N,N-dimethylcarbamothioate O-[4-[2-(1,3-benzodioxol-5-yl)ethanoyl]-3-oxidanyl-phenyl]N,N-dimethylcarbamothioate O{4'-[3'',4''-(Methylenedioxy)benzylcarbonyl]-3'-hydroxyphenyl}-dimethyl-thiocarbamate N,N-dimethylcarbamothioic acid O-[4-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-3-hydroxyphenyl] ester O-[4-[2-(1,3-benzodioxol-5-yl)acetyl]-3-hydroxyphenyl] N,N-dimethylcarbamothioate O-[4-[2-(1,3-benzodioxol-5-yl)acetyl]-3-hydroxy-phenyl] N,N-dimethylcarbamothioate O-[4-[2-(1,3-benzodioxol-5-yl)ethanoyl]-3-oxidanyl-phenyl] N,N-dimethylcarbamothioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17NO5S |
| InChI | InChI=1S/C18H17NO5S/c1-19(2)18(25)24-12-4-5-13(15(21)9-12)14(20)7-11-3-6-16-17(8-11)23-10-22-16/h3-6,8-9,21H,7,10H2,1-2H3 |
| InChIKey | KGSJSTUFDHPVBW-UHFFFAOYSA-N |
| Molecular Weight | 359.396 g/mol |
| SMILES | Oc1cc(OC(=S)N(C)C)ccc1C(Cc1cc2OCOc2cc1)=O |
| SPLASH | splash10-0079-9010000000-32faac227d308cfb15ac |
| Source of Spectrum | SK-22-1746-8 |
| Wiley ID | 852080 |