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trans-Rhubafuran
SpectraBase Compound ID DXpDsVdfs34
InChI InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKey GPMLJOOQCIHFET-ZYHUDNBSSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtLie3s2Xiq
Name trans-Rhubafuran
CAS Registry Number 99343-91-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-10-8-12(2,9-13-10)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKey GPMLJOOQCIHFET-ZYHUDNBSSA-N
Molecular Weight 176.259 g/mol
Number of Peaks 50
RI1 1347
RI2 1024
RI3 1191
RI4 1150
RI5 1324
SMILES C[C@]1(OC[C@@](C1)(c1ccccc1)C)[H]
SPLASH splash10-001i-3900000000-cd3dbd5f436d40734ef8
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4S)-rel-
Wiley ID LM_FFNSC3_3351