For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-[(1R,2R,3S)-(1,2,3-Triacetoxy)heptyl]-5,6-dihydropyran-2-one
SpectraBase Compound ID AGIsYMxIHck
InChI InChI=1S/C18H26O8/c1-5-6-8-14(23-11(2)19)17(24-12(3)20)18(25-13(4)21)15-9-7-10-16(22)26-15/h7,10,14-15,17-18H,5-6,8-9H2,1-4H3/t14-,15?,17+,18-/m0/s1
InChIKey BRBSZFBUFZWHCT-NDNZDJEJSA-N
Mol Weight 370.4 g/mol
Molecular Formula C18H26O8
Exact Mass 370.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AnyraVqfd81
Name 6-[(1R,2R,3S)-(1,2,3-Triacetoxy)heptyl]-5,6-dihydropyran-2-one
Alternate Name(s) (1R,2S)-2-(acetyloxy)-1-[(S)-(acetyloxy)(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]hexyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O8
InChI InChI=1S/C18H26O8/c1-5-6-8-14(23-11(2)19)17(24-12(3)20)18(25-13(4)21)15-9-7-10-16(22)26-15/h7,10,14-15,17-18H,5-6,8-9H2,1-4H3/t14-,15?,17+,18-/m0/s1
InChIKey BRBSZFBUFZWHCT-NDNZDJEJSA-N
Molecular Weight 370.398 g/mol
SMILES [C@]([C@@]([C@@](OC(=O)C)(CCCC)[H])(OC(=O)C)[H])(C1OC(=O)C=CC1)(OC(=O)C)[H]
SPLASH splash10-0006-1950000000-49facdcdbd84b221f057
Source of Spectrum KD-13-2326-16
Wiley ID 1635554