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Bornesitol pentaacetate

View entire compound with spectra: 1 FTIR

Bornesitol pentaacetate
SpectraBase Compound ID 8054fwKotOy
InChI InChI=1S/C17H24O11/c1-7(18)24-13-12(23-6)14(25-8(2)19)16(27-10(4)21)17(28-11(5)22)15(13)26-9(3)20/h12-17H,1-6H3/t12-,13-,14-,15+,16-,17-/m0/s1
InChIKey PNPNMWNRROVEKX-LTAJLKHCSA-N
Mol Weight 404.37 g/mol
Molecular Formula C17H24O11
Exact Mass 404.131862 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KXPI92NSBbn
Name Bornesitol pentaacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.131861582 u
Formula C17H24O11
InChI InChI=1S/C17H24O11/c1-7(18)24-13-12(23-6)14(25-8(2)19)16(27-10(4)21)17(28-11(5)22)15(13)26-9(3)20/h12-17H,1-6H3/t12-,13-,14-,15+,16-,17-/m0/s1
InChIKey PNPNMWNRROVEKX-LTAJLKHCSA-N
Molecular Weight 404.368 g/mol
SMILES [C@]1([C@]([C@@](OC(=O)C)([C@@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947452