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(S,S)-2-[(1'-methylheptyl)oxymethyl]-5-oxotetrahydrofuran
SpectraBase Compound ID CwfSxaBNZQy
InChI InChI=1S/C13H24O3/c1-3-4-5-6-7-11(2)15-10-12-8-9-13(14)16-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKey DFGORORBAXZRSB-RYUDHWBXSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3mTjuHJIZm
Name (S,S)-2-[(1'-methylheptyl)oxymethyl]-5-oxotetrahydrofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-3-4-5-6-7-11(2)15-10-12-8-9-13(14)16-12/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKey DFGORORBAXZRSB-RYUDHWBXSA-N
Molecular Weight 228.332 g/mol
SMILES C1(O[C@](CO[C@](CCCCCC)(C)[H])(CC1)[H])=O
SPLASH splash10-0006-9200000000-0ba98e33bed1685c350e
Source of Spectrum JC-598-262-15
Synonyms (5S)-5-({[(1S)-1-methylheptyl]oxy}methyl)dihydro-2(3H)-furanone
Wiley ID 1229785