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Glycocitrine-vi

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Glycocitrine-vi
SpectraBase Compound ID CST8uJPE4x2
InChI InChI=1S/C24H27NO3/c1-15(2)10-12-24(13-11-16(3)4)20(27)14-19(26)21-22(28)17-8-6-7-9-18(17)25(5)23(21)24/h6-11,14,26H,12-13H2,1-5H3
InChIKey SSTBWPOZCRQSBJ-UHFFFAOYSA-N
Mol Weight 377.48 g/mol
Molecular Formula C24H27NO3
Exact Mass 377.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CRO0KcDUSFE
Name Glycocitrine-vi
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.199093730 u
Formula C24H27NO3
InChI InChI=1S/C24H27NO3/c1-15(2)10-12-24(13-11-16(3)4)20(27)14-19(26)21-22(28)17-8-6-7-9-18(17)25(5)23(21)24/h6-11,14,26H,12-13H2,1-5H3
InChIKey SSTBWPOZCRQSBJ-UHFFFAOYSA-N
Molecular Weight 377.484 g/mol
SMILES C1(O)=CC(=O)C(CC=C(C)C)(CC=C(C)C)C=2N(C)C3=CC=CC=C3C(=O)C12
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869329