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2H-Pyran-3-ol, 3,6-dihydro-2-methoxy-6-methyl-, benzoate, [2S-(2.alpha.,3.alpha.,6.beta.)]-
SpectraBase Compound ID 8xTPKviWHay
InChI InChI=1S/C14H16O4/c1-10-8-9-12(14(16-2)17-10)18-13(15)11-6-4-3-5-7-11/h3-10,12,14H,1-2H3/t10-,12-,14+/m1/s1
InChIKey VSMCKIARHDIHPP-QKCSRTOESA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8gZ9TQ1XuF
Name 2H-Pyran-3-ol, 3,6-dihydro-2-methoxy-6-methyl-, benzoate, [2S-(2.alpha.,3.alpha.,6.beta.)]-
CAS Registry Number 78294-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-10-8-9-12(14(16-2)17-10)18-13(15)11-6-4-3-5-7-11/h3-10,12,14H,1-2H3/t10-,12-,14+/m1/s1
InChIKey VSMCKIARHDIHPP-QKCSRTOESA-N
Molecular Weight 248.278 g/mol
SMILES C(O[C@]1([C@](O[C@@](C=C1)(C)[H])(OC)[H])[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-9109454a7b0db82aa847
Source of Spectrum K-114-1818-0
Synonyms (2S,3R,6R)-2-methoxy-6-methyl-3,6-dihydro-2H-pyran-3-yl benzoate Methyl-2-O-benzoyl-3,4,6-tridesoxy-.alpha.-D-erythro-hex-3-enopyranoside
Wiley ID 1251038