SpectraBase Compound ID | HRexmz8F508 |
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InChI | InChI=1S/C22H25N3O5S2/c26-13-17-18(27)19(28)20(29)21(30-17)32-16-10-8-15(9-11-16)24-22(31)25-23-12-4-7-14-5-2-1-3-6-14/h1-12,17-21,26-29H,13H2,(H2,24,25,31)/t17-,18-,19+,20-,21+/m1/s1 |
InChIKey | QTTCYCBTBFPJEX-ADAARDCZSA-N |
Mol Weight | 475.58 g/mol |
Molecular Formula | C22H25N3O5S2 |
Exact Mass | 475.123563 g/mol |
SpectraBase Spectrum ID | 8wZ8klxKoiT |
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Name | cinnamaldehyde, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H25N3O5S2 |
InChI | InChI=1S/C22H25N3O5S2/c26-13-17-18(27)19(28)20(29)21(30-17)32-16-10-8-15(9-11-16)24-22(31)25-23-12-4-7-14-5-2-1-3-6-14/h1-12,17-21,26-29H,13H2,(H2,24,25,31)/t17-,18-,19+,20-,21+/m1/s1 |
InChIKey | QTTCYCBTBFPJEX-ADAARDCZSA-N |
Sadtler IR Number | 29771 |
Sadtler UV Number | 12364N |
Solvent | Methanol |