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(1R,6S)-6-((1,3-dioxalan-2-yl)methyl)cyclohex-3-en-1-yl 2-hydroxybenzoate
SpectraBase Compound ID GOlLKs4mAUB
InChI InChI=1S/C17H20O5/c18-14-7-3-2-6-13(14)17(19)22-15-8-4-1-5-12(15)11-16-20-9-10-21-16/h1-4,6-7,12,15-16,18H,5,8-11H2/t12-,15+/m0/s1
InChIKey SZQKZNNPISBVHJ-SWLSCSKDSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDiud85Zdpl
Name (1R,6S)-6-((1,3-dioxalan-2-yl)methyl)cyclohex-3-en-1-yl 2-hydroxybenzoate
Appearance Yellow oil
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Formula C17H20O5
InChI InChI=1S/C17H20O5/c18-14-7-3-2-6-13(14)17(19)22-15-8-4-1-5-12(15)11-16-20-9-10-21-16/h1-4,6-7,12,15-16,18H,5,8-11H2/t12-,15+/m0/s1
InChIKey SZQKZNNPISBVHJ-SWLSCSKDSA-N
Instrument Name Agilent 7890A-5975
Ionization Type EI
Literature Reference DOI 10.1002/chem.201801434
Optical Rotation [a]D20 = -101.1 (c = 1.0, CH2Cl2)
Quality 40
Reported Formula C17H20O5
SMILES OC1=CC=CC=C1C(=O)O[C@]1([C@](CC2OCCO2)(CC=CC1)[H])[H]
SPLASH splash10-00di-9100000000-7bba03930f8525327b1a
Source of Spectrum QE-24-SM28-8 (DOI: 10.1002/chem.201801434)
Wiley ID 1900275