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(5R)-3-(cyclopropylmethyl)-5-(hydroxymethyl)tetrahydrofuran-2-one
SpectraBase Compound ID Hkgsu2YDunZ
InChI InChI=1S/C9H14O3/c10-5-8-4-7(9(11)12-8)3-6-1-2-6/h6-8,10H,1-5H2/t7?,8-/m1/s1
InChIKey LCTRBMHEYOZSBD-BRFYHDHCSA-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 IUcRzUhRec4
Name (5R)-3-(cyclopropylmethyl)-5-(hydroxymethyl)tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c10-5-8-4-7(9(11)12-8)3-6-1-2-6/h6-8,10H,1-5H2/t7?,8-/m1/s1
InChIKey LCTRBMHEYOZSBD-BRFYHDHCSA-N
Instrument Name Waters GCT Premier
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.113
Molecular Weight 170.208 g/mol
Reported Formula C9H14O3
SMILES OC[C@@]1(OC(C(C1)CC1CC1)=O)[H]
SPLASH splash10-066r-9300000000-ab3829c061917bec21c9
Sample Comments Anti isomer
Source of Spectrum BJO-9-SM16-25e
Wiley ID 1853660