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(1S,3R,4S,6R)-4-((1,3-dioxalan-2-yl)methyl)-7-oxabicyclo[4.1.0]heptan-3-yl 2-hydroxybenzoate

View entire compound with spectra: 1 MS (GC)

(1S,3R,4S,6R)-4-((1,3-dioxalan-2-yl)methyl)-7-oxabicyclo[4.1.0]heptan-3-yl 2-hydroxybenzoate
SpectraBase Compound ID 5xD5NAHTPfx
InChI InChI=1S/C17H20O6/c18-12-4-2-1-3-11(12)17(19)23-13-9-15-14(22-15)7-10(13)8-16-20-5-6-21-16/h1-4,10,13-16,18H,5-9H2/t10-,13+,14+,15-/m0/s1
InChIKey PSTIVTQDEMLWFK-QOWREQOWSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGRyIRNhe8G
Name (1S,3R,4S,6R)-4-((1,3-dioxalan-2-yl)methyl)-7-oxabicyclo[4.1.0]heptan-3-yl 2-hydroxybenzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O6
InChI InChI=1S/C17H20O6/c18-12-4-2-1-3-11(12)17(19)23-13-9-15-14(22-15)7-10(13)8-16-20-5-6-21-16/h1-4,10,13-16,18H,5-9H2/t10-,13+,14+,15-/m0/s1
InChIKey PSTIVTQDEMLWFK-QOWREQOWSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801434
Quality 42
Reported Formula C17H20O6
SMILES OC1=CC=CC=C1C(=O)O[C@]1([C@](CC2OCCO2)(C[C@@]2([C@](C1)(O2)[H])[H])[H])[H]
SPLASH splash10-00di-9100000000-245772ff5842d1a86e3f
Sample Comments dr = 1.6:1
Source of Spectrum QE-24-SM28-9 (DOI: 10.1002/chem.201801434)
Wiley ID 1900277