![(NE)-N-{3-[(4-bromophenyl)sulfanyl]propylidene}adamantan-1-aminium methanesulfonate](/api/spectrum/77nNaxfoZA7/structure.png?h=300&w=458 "(NE)-N-{3-[(4-bromophenyl)sulfanyl]propylidene}adamantan-1-aminium methanesulfonate")
| SpectraBase Compound ID | IrOqN70hg1l |
|---|---|
| InChI | InChI=1S/C19H24BrNS.H2O4S/c20-17-2-4-18(5-3-17)22-7-1-6-21-19-11-14-8-15(12-19)10-16(9-14)13-19;1-5(2,3)4/h2-6,14-16H,1,7-13H2;(H2,1,2,3,4)/b21-6+;/t14-,15+,16-,19-; |
| InChIKey | BKVZQWFHESAITB-MJEYAPQUSA-N |
| Mol Weight | 476.44 g/mol |
| Molecular Formula | C19H26BrNO4S2 |
| Exact Mass | 475.048664 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 77nNaxfoZA7 |
|---|---|
| Name | (NE)-N-{3-[(4-bromophenyl)sulfanyl]propylidene}adamantan-1-aminium methanesulfonate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 475.048663665 u |
| Formula | C19H26BrNO4S2 |
| InChI | InChI=1S/C19H24BrNS.H2O4S/c20-17-2-4-18(5-3-17)22-7-1-6-21-19-11-14-8-15(12-19)10-16(9-14)13-19;1-5(2,3)4/h2-6,14-16H,1,7-13H2;(H2,1,2,3,4)/b21-6+;/t14-,15+,16-,19-; |
| InChIKey | BKVZQWFHESAITB-MJEYAPQUSA-N |
| Molecular Weight | 476.444 g/mol |
| NMR Offset | 18.0059 |
| NMR Spectrometer Frequency | 300.135 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2017_7748 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/10231136; Lab Info: AI; Lab Number: AIS-S001187 |
| Temperature | 23.85 °C |