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1H-Inden-1-one, 3a,4,5,6,7,7a-hexahydro-5,6-bis(hydroxymethyl)-
SpectraBase Compound ID L2TcwETkAeb
InChI InChI=1S/C11H16O3/c12-5-8-3-7-1-2-11(14)10(7)4-9(8)6-13/h1-2,7-10,12-13H,3-6H2
InChIKey PTWSTALNHHJGQD-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hxp9YgGk80C
Name 1H-Inden-1-one, 3a,4,5,6,7,7a-hexahydro-5,6-bis(hydroxymethyl)-
CAS Registry Number 77828-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c12-5-8-3-7-1-2-11(14)10(7)4-9(8)6-13/h1-2,7-10,12-13H,3-6H2
InChIKey PTWSTALNHHJGQD-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES OCC1C(CO)CC2C(C1)C(C=C2)=O
SPLASH splash10-057j-9700000000-9b9313c1506f443c758f
Source of Spectrum NP-3-8807-0
Synonyms 5,6-Bis(hydroxymethyl)-3a,4,5,6,7,7a-hexahydro-1H-inden-1-one 5,6-bis(hydroxymethyl)-3a,4,5,6,7,7a-hexahydroinden-1-one 5,6-Dimethylol-3a,4,5,6,7,7a-hexahydroinden-1-one
Wiley ID 1103307