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(3'aR*,6'S*,7'aR*)-spiro[cyclohexane-1,3'-6'-(4-chlorobenzoyloxymethyl)-perhydrofuro[2,3-b]pyran]
SpectraBase Compound ID BPSJaAyR0mp
InChI InChI=1S/C20H25ClO4/c21-15-6-4-14(5-7-15)18(22)23-12-16-8-9-17-19(25-16)24-13-20(17)10-2-1-3-11-20/h4-7,16-17,19H,1-3,8-13H2/t16-,17-,19+/m0/s1
InChIKey XAMDKSTZUSIXDW-JENIJYKNSA-N
Mol Weight 364.87 g/mol
Molecular Formula C20H25ClO4
Exact Mass 364.144137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iYyAqCXtwj
Name (3'aR*,6'S*,7'aR*)-spiro[cyclohexane-1,3'-6'-(4-chlorobenzoyloxymethyl)-perhydrofuro[2,3-b]pyran]
Appearance Colourless viscous oil
Carrier Gas Helium (1.4 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClO4
GC Column Macherey-Nagel Optima delta-3 (20 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C20H25ClO4/c21-15-6-4-14(5-7-15)18(22)23-12-16-8-9-17-19(25-16)24-13-20(17)10-2-1-3-11-20/h4-7,16-17,19H,1-3,8-13H2/t16-,17-,19+/m0/s1
InChIKey XAMDKSTZUSIXDW-JENIJYKNSA-N
Inlet Type Split
Instrument Name Finnigan Trace GC/MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201604950
Molecular Weight 364.869 g/mol
Quality 164
Reported Formula C20H25O4(35)Cl
SMILES C1(Cl)=CC=C(C(=O)OC[C@]2(O[C@@]3([C@](CC2)(C2(CO3)CCCCC2)[H])[H])[H])C=C1
SPLASH splash10-0uds-3900000000-fa41702d528880b8978f
Source of Spectrum ACI-55-SM22-9f (DOI: 10.1002/anie.201604950)
Wiley ID 1899234