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Acetic acid (1R,4aS)-(2,3,4,4a-tetrahydro-1H-xanthen-1-yl) ester
SpectraBase Compound ID 5rFqZ82dYd3
InChI InChI=1S/C15H16O3/c1-10(16)17-14-7-4-8-15-12(14)9-11-5-2-3-6-13(11)18-15/h2-3,5-6,9,14-15H,4,7-8H2,1H3/t14-,15+/m1/s1
InChIKey DKKVTBIRMRJJFB-CABCVRRESA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZKCVhz19ti
Name Acetic acid (1R,4aS)-(2,3,4,4a-tetrahydro-1H-xanthen-1-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-10(16)17-14-7-4-8-15-12(14)9-11-5-2-3-6-13(11)18-15/h2-3,5-6,9,14-15H,4,7-8H2,1H3/t14-,15+/m1/s1
InChIKey DKKVTBIRMRJJFB-CABCVRRESA-N
Molecular Weight 244.290 g/mol
SMILES C12=Cc3ccccc3O[C@]2(CCC[C@]1(OC(=O)C)[H])[H]
SPLASH splash10-001i-0910000000-fe122b8ad491885c7736
Source of Spectrum QE-12-3651-9
Synonyms (1R,4aS)-2,3,4,4a-tetrahydro-1H-xanthen-1-yl acetate O-Acetyl-2,3,4,4a-tetrahydroxanthene-1-ol
Wiley ID 1586938