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3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
SpectraBase Compound ID BfMGOV14JU3
InChI InChI=1S/C12H20O3/c1-3-11(13)7-5-4-6-10-8-15-12(14)9(10)2/h11,13H,3-8H2,1-2H3/t11-/m1/s1
InChIKey RRJPBACYMZWMBB-LLVKDONJSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCqPjO8TdoE
Name 3-[(5R)-5-hydroxyheptyl]-4-methyl-2H-furan-5-one
Alternate Name(s) 4-Methyl-3-[(5R)-5-oxidanylheptyl]-2H-furan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-3-11(13)7-5-4-6-10-8-15-12(14)9(10)2/h11,13H,3-8H2,1-2H3/t11-/m1/s1
InChIKey RRJPBACYMZWMBB-LLVKDONJSA-N
Molecular Weight 212.289 g/mol
SMILES O[C@@](CCCCC1=C(C(OC1)=O)C)(CC)[H]
SPLASH splash10-06wd-6900000000-47852e67781e7bb331e8
Source of Spectrum F-50-5493-13
Wiley ID 1211623