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trans-1-Benzoyloxy-cis-3-hydroxy-trans-4,trans-5-isopropylidenedioxycyclohexanecarboxylic gamma-lactone
SpectraBase Compound ID FLNxIEYlTcU
InChI InChI=1S/C17H18O6/c1-16(2)21-12-9-17(8-11(13(12)22-16)20-15(17)19)23-14(18)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3
InChIKey BILREUFHBYRYST-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1w9UHpQ5v60
Name trans-1-Benzoyloxy-cis-3-hydroxy-trans-4,trans-5-isopropylidenedioxycyclohexanecarboxylic gamma-lactone
CAS Registry Number 219739-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-16(2)21-12-9-17(8-11(13(12)22-16)20-15(17)19)23-14(18)10-6-4-3-5-7-10/h3-7,11-13H,8-9H2,1-2H3
InChIKey BILREUFHBYRYST-UHFFFAOYSA-N
Molecular Weight 318.325 g/mol
SMILES C12C(CC3(CC2OC3=O)OC(=O)c2ccccc2)OC(O1)(C)C
SPLASH splash10-0a4i-3902000000-a0602eede32a30d6741c
Source of Spectrum NP-11-1117-0
Wiley ID 1109392