SpectraBase Compound ID | 1FfO7Sbgobt |
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InChI | InChI=1S/C23H29NO3S/c1-17(24-27-12-6-5-10-18-8-3-2-4-9-18)23-21(25)14-20(15-22(23)26)19-11-7-13-28-16-19/h2-6,8-9,19-20,25H,7,10-16H2,1H3/b6-5+,24-17+ |
InChIKey | VDXMNDHJPKDYBY-ZVLYUEHQSA-N |
Mol Weight | 399.55 g/mol |
Molecular Formula | C23H29NO3S |
Exact Mass | 399.186815 g/mol |
SpectraBase Spectrum ID | JY0BTvaU5G9 |
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Name | 2-Cyclohexen-1-one, 3-hydroxy-2-[1-[[(4-phenyl-2-butenyl)oxy]imino]ethyl]-5-(tetrahydro-2H-thiopyran-3-yl)- |
CAS Registry Number | 130057-19-1 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C23H29NO3S |
InChI | InChI=1S/C23H29NO3S/c1-17(24-27-12-6-5-10-18-8-3-2-4-9-18)23-21(25)14-20(15-22(23)26)19-11-7-13-28-16-19/h2-6,8-9,19-20,25H,7,10-16H2,1H3/b6-5+,24-17+ |
InChIKey | VDXMNDHJPKDYBY-ZVLYUEHQSA-N |
Instrument Name | Bruker IFS 85 |
Purity | slightly contaminated |
Technique | Film |