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(3aR,6aR)-3-(4-Hydroxybutyl)hexahydropentalene-1,4-dione
SpectraBase Compound ID DPaD9k3QmFt
InChI InChI=1S/C12H18O3/c13-6-2-1-3-8-7-11(15)9-4-5-10(14)12(8)9/h8-9,12-13H,1-7H2/t8?,9-,12+/m0/s1
InChIKey SGBKXARWMXELKI-BOFGBJPOSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AtodDzc6v1
Name (3aR,6aR)-3-(4-Hydroxybutyl)hexahydropentalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c13-6-2-1-3-8-7-11(15)9-4-5-10(14)12(8)9/h8-9,12-13H,1-7H2/t8?,9-,12+/m0/s1
InChIKey SGBKXARWMXELKI-BOFGBJPOSA-N
Molecular Weight 210.273 g/mol
SMILES OCCCCC1CC([C@]2([C@@]1(C(=O)CC2)[H])[H])=O
SPLASH splash10-053r-9610000000-86bd1266cde5fe2c99a3
Source of Spectrum F-69-7377-17
Synonyms 3-(4-Hydroxybutyl)hexahydropentalene-1,4-dione (3aR,6aR)-3-(4-hydroxybutyl)tetrahydropentalene-1,4(2H,5H)-dione
Wiley ID 1738310