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(+-)-tetraacetylmannostatin A

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

(+-)-tetraacetylmannostatin A
SpectraBase Compound ID 8VdWElOh7vH
InChI InChI=1S/C14H21NO7S/c1-6(16)15-10-11(20-7(2)17)12(21-8(3)18)13(14(10)23-5)22-9(4)19/h10-14H,1-5H3,(H,15,16)/t10-,11+,12+,13+,14?/m0/s1
InChIKey VKVYCBMBUGTPBN-WDIAWBBUSA-N
Mol Weight 347.38 g/mol
Molecular Formula C14H21NO7S
Exact Mass 347.103873 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AJi4BNh8R3U
Name (+-)-tetraacetylmannostatin A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.103873187 u
Formula C14H21NO7S
InChI InChI=1S/C14H21NO7S/c1-6(16)15-10-11(20-7(2)17)12(21-8(3)18)13(14(10)23-5)22-9(4)19/h10-14H,1-5H3,(H,15,16)/t10-,11+,12+,13+,14?/m0/s1
InChIKey VKVYCBMBUGTPBN-WDIAWBBUSA-N
Molecular Weight 347.382 g/mol
SMILES [C@]1([C@]([C@@](OC(=O)C)(C([C@]1(NC(=O)C)[H])SC)[H])(OC(=O)C)[H])(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864493