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5-[(2S,1R)-2-(Benzyl)oxy-1-hydroperoxypropyl]-2-methyl-3-ethoxycarbonylfuran
SpectraBase Compound ID CEBIhewHnTS
InChI InChI=1S/C18H22O6/c1-4-21-18(19)15-10-16(23-12(15)2)17(24-20)13(3)22-11-14-8-6-5-7-9-14/h5-10,13,17,20H,4,11H2,1-3H3/t13-,17+/m0/s1
InChIKey CJJAYVYMXVYVSM-SUMWQHHRSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JRV9O90NM
Name 5-[(2S,1R)-2-(Benzyl)oxy-1-hydroperoxypropyl]-2-methyl-3-ethoxycarbonylfuran
Alternate Name(s) Ethyl 5-[(1R,2S)-2-(benzyloxy)-1-hydroperoxypropyl]-2-methyl-3-furoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-4-21-18(19)15-10-16(23-12(15)2)17(24-20)13(3)22-11-14-8-6-5-7-9-14/h5-10,13,17,20H,4,11H2,1-3H3/t13-,17+/m0/s1
InChIKey CJJAYVYMXVYVSM-SUMWQHHRSA-N
Molecular Weight 334.368 g/mol
SMILES OO[C@@](c1cc(c(o1)C)C(=O)OCC)([C@@](OCc1ccccc1)(C)[H])[H]
SPLASH splash10-0a4i-5390000000-ad4084588eb21e65c600
Source of Spectrum QC-10-2032-13
Wiley ID 871394