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1-Hydroxy-4-oxabicyclo[4.4.0]decan-3-one
SpectraBase Compound ID EvoM7ejTfgV
InChI InChI=1S/C9H14O3/c10-8-5-9(11)4-2-1-3-7(9)6-12-8/h7,11H,1-6H2
InChIKey TWPUDVZWRSSXTF-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z2HFsahqGM
Name 1-Hydroxy-4-oxabicyclo[4.4.0]decan-3-one
CAS Registry Number 135973-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-8-5-9(11)4-2-1-3-7(9)6-12-8/h7,11H,1-6H2
InChIKey TWPUDVZWRSSXTF-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES OC12CC(=O)OCC2CCCC1
SPLASH splash10-07vl-9400000000-2c4c9f1de17a40a49a5d
Source of Spectrum C-113-8042-2
Synonyms 4a-hydroxyoctahydro-3H-2-benzopyran-3-one
Wiley ID 1166637