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Phenyl-D-mannoheptuloside, pentaacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Phenyl-D-mannoheptuloside, pentaacetate
SpectraBase Compound ID 2ploO2OzqNY
InChI InChI=1S/C23H28O12/c1-13(24)30-12-20(32-14(2)25)22(34-16(4)27)23(35-17(5)28)21(33-15(3)26)19(29)11-31-18-9-7-6-8-10-18/h6-10,20-23H,11-12H2,1-5H3
InChIKey CMHAYNJADRVPPE-UHFFFAOYSA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H28O12
Exact Mass 496.158076 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2vRveXldJ5U
Name Phenyl-D-mannoheptuloside, pentaacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.158076330 u
Formula C23H28O12
InChI InChI=1S/C23H28O12/c1-13(24)30-12-20(32-14(2)25)22(34-16(4)27)23(35-17(5)28)21(33-15(3)26)19(29)11-31-18-9-7-6-8-10-18/h6-10,20-23H,11-12H2,1-5H3
InChIKey CMHAYNJADRVPPE-UHFFFAOYSA-N
Molecular Weight 496.465 g/mol
SMILES C(C(C(C(C(C(COC1=CC=CC=C1)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929557