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8a.beta.-(2-Hydroxyethyl)-4a.beta.-octahydro-3H-2-benzopyran-3-one
SpectraBase Compound ID IoyFr85OXOM
InChI InChI=1S/C11H18O3/c12-6-5-11-4-2-1-3-9(11)7-10(13)8-14-11/h9,12H,1-8H2/t9-,11+/m0/s1
InChIKey ADBQYROQZRIVIG-GXSJLCMTSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A803XzNal7D
Name 8a.beta.-(2-Hydroxyethyl)-4a.beta.-octahydro-3H-2-benzopyran-3-one
CAS Registry Number 58240-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c12-6-5-11-4-2-1-3-9(11)7-10(13)8-14-11/h9,12H,1-8H2/t9-,11+/m0/s1
InChIKey ADBQYROQZRIVIG-GXSJLCMTSA-N
Molecular Weight 198.262 g/mol
SMILES OCC[C@]12OCC(C[C@@]2(CCCC1)[H])=O
SPLASH splash10-0a4i-8900000000-554316443d763505a464
Source of Spectrum J-41-1401-0
Synonyms (4aS,8aR)-8a-(2-hydroxyethyl)hexahydro-2H-chromen-3(4H)-one
Wiley ID 1195498