SpectraBase Compound ID | H8471jz8YKo |
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InChI | InChI=1S/C29H33N3O11S2/c1-15(33)39-14-23-25(40-16(2)34)26(41-17(3)35)27(42-18(4)36)28(43-23)45-24-9-7-6-8-20(24)31-29(44)32-30-13-19-10-11-21(37)22(12-19)38-5/h6-13,23,25-28,37H,14H2,1-5H3,(H2,31,32,44)/t23-,25-,26+,27-,28+/m1/s1 |
InChIKey | MALDPKRGLMOSBI-IPTPSVHJSA-N |
Mol Weight | 663.7 g/mol |
Molecular Formula | C29H33N3O11S2 |
Exact Mass | 663.155651 g/mol |
SpectraBase Spectrum ID | L3g720YZ53Z |
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Name | vanillin, 4-[o-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone, tetraacetate |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H33N3O11S2 |
InChI | InChI=1S/C29H33N3O11S2/c1-15(33)39-14-23-25(40-16(2)34)26(41-17(3)35)27(42-18(4)36)28(43-23)45-24-9-7-6-8-20(24)31-29(44)32-30-13-19-10-11-21(37)22(12-19)38-5/h6-13,23,25-28,37H,14H2,1-5H3,(H2,31,32,44)/t23-,25-,26+,27-,28+/m1/s1 |
InChIKey | MALDPKRGLMOSBI-IPTPSVHJSA-N |
Sadtler IR Number | 29761 |
Sadtler UV Number | 12357N |
Solvent | Methanol |