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Methyl-β-cyclodextrin
SpectraBase Compound ID LXDJQUwytph
InChI InChI=1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
InChIKey QGKBSGBYSPTPKJ-UZMKXNTCSA-N
Mol Weight 1331.4 g/mol
Molecular Formula C56H98O35
Exact Mass 1330.588865 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GUhCvkpeV36
Name β-Methylcyclodextrin (W7 M1.8)
Source of Sample Wacker Chemie AG
Catalog Number 0110193
Lot Number 71B006
CAS Registry Number 128446-36-6
Classification seven sugar ring molecule
Comments Pharmaceutical Grade
Compound Type Pure
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H98O35
InChI InChI=1S/C56H98O35/c1-64-15-22-36-29(57)43(71-8)50(78-22)86-37-23(16-65-2)80-52(45(73-10)30(37)58)88-39-25(18-67-4)82-54(47(75-12)32(39)60)90-41-27(20-69-6)84-56(49(77-14)34(41)62)91-42-28(21-70-7)83-55(48(76-13)35(42)63)89-40-26(19-68-5)81-53(46(74-11)33(40)61)87-38-24(17-66-3)79-51(85-36)44(72-9)31(38)59/h22-63H,15-21H2,1-14H3/t22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
InChIKey QGKBSGBYSPTPKJ-UZMKXNTCSA-N
Melting Point 180.0 - 182.0 °C
Molecular Weight 1331.365 g/mol
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd:YAG
Sample Description white powder
Source of Spectrum Forensic Spectral Research
Synonyms Methyl-β-cyclodextrin
Technique FT-Raman