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[(5R,6R)-6-acetoxy-5-hydroxy-cyclohexa-1,3-dien-1-yl]methyl benzoate
SpectraBase Compound ID EAgQDsfLvy2
InChI InChI=1S/C16H16O5/c1-11(17)21-15-13(8-5-9-14(15)18)10-20-16(19)12-6-3-2-4-7-12/h2-9,14-15,18H,10H2,1H3/t14-,15-/m1/s1
InChIKey JUCWKHGPKAOLHQ-HUUCEWRRSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zefeekU8j7
Name [(5R,6R)-6-acetoxy-5-hydroxy-cyclohexa-1,3-dien-1-yl]methyl benzoate
Alternate Name(s) [(5R,6R)-6-acetyloxy-5-hydroxycyclohexa-1,3-dien-1-yl]methyl benzoate [(5R,6R)-6-acetyloxy-5-oxidanyl-cyclohexa-1,3-dien-1-yl]methyl benzoate benzoic acid [(5R,6R)-6-acetyloxy-5-hydroxy-1-cyclohexa-1,3-dienyl]methyl ester
CAS Registry Number 104874-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-11(17)21-15-13(8-5-9-14(15)18)10-20-16(19)12-6-3-2-4-7-12/h2-9,14-15,18H,10H2,1H3/t14-,15-/m1/s1
InChIKey JUCWKHGPKAOLHQ-HUUCEWRRSA-N
Molecular Weight 288.299 g/mol
SMILES O[C@]1([C@@](C(=CC=C1)COC(=O)c1ccccc1)(OC(=O)C)[H])[H]
SPLASH splash10-0a4i-0910000000-c33149c0af45a34780a1
Source of Spectrum AJ-59-655-2
Wiley ID 1291680