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

*Links on SpectraBase are not permalinks.
(1R,2S,4S)-2-((1,3-dioxalan-2-yl)methyl)-4-hydroxycyclohexyl 2-hydroxybenzoate
SpectraBase Compound ID JQJbUxWYO0A
InChI InChI=1S/C17H22O6/c18-12-5-6-15(11(9-12)10-16-21-7-8-22-16)23-17(20)13-3-1-2-4-14(13)19/h1-4,11-12,15-16,18-19H,5-10H2/t11-,12-,15+/m0/s1
InChIKey RBODTAUDUUTDDR-SLEUVZQESA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 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 8OZRWUqbnai
Name (1R,2S,4S)-2-((1,3-dioxalan-2-yl)methyl)-4-hydroxycyclohexyl 2-hydroxybenzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.141638422 u
Formula C17H22O6
InChI InChI=1S/C17H22O6/c18-12-5-6-15(11(9-12)10-16-21-7-8-22-16)23-17(20)13-3-1-2-4-14(13)19/h1-4,11-12,15-16,18-19H,5-10H2/t11-,12-,15+/m0/s1
InChIKey RBODTAUDUUTDDR-SLEUVZQESA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801434
Optical Rotation [a]D20 = -57.6 (c = 0.8, CH2Cl2)
Quality 38
Reported Formula C17H22O6
SMILES O[C@@]1(C[C@]([C@](OC(C2=CC=CC=C2O)=O)(CC1)[H])(CC1OCCO1)[H])[H]
SPLASH splash10-00di-9400000000-a14f922020920620b925
Source of Spectrum QE-24-SM29-VII (DOI: 10.1002/chem.201801434)
Wiley ID 1900283