SpectraBase Compound ID | H19DD52mfaP |
---|---|
InChI | InChI=1S/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-;/m1./s1 |
InChIKey | RHKJIVJBQJXLBY-FTIBDFQESA-N |
Mol Weight | 691.0 g/mol |
Molecular Formula | C29H35ClO17 |
Exact Mass | 690.156277 g/mol |
SpectraBase Spectrum ID | FYZ0pEErnhR |
---|---|
Name | Malvin(chloride) |
Source of Sample | Aldrich |
Catalog Number | M1709 |
CAS Registry Number | 16727-30-3 |
Classification | Aromatic alcohols and phenols |
Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H35ClO17 |
InChI | InChI=1S/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-;/m1./s1 |
InChIKey | RHKJIVJBQJXLBY-FTIBDFQESA-N |
Solvent | Nujol |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | Malvidin chloride 3,5-diglucoside Malvidin-3,5-diglucoside Malvoside |
Technique | Mull |
Wiley ID | SIAL_FTIR_1_10172 |