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(2R,4S)-4-Methyl-2-phenyl-tetrahydro-pyran
SpectraBase Compound ID 6nZ7sYlYWST
InChI InChI=1S/C12H16O/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m0/s1
InChIKey GDAVABNCFOTAOD-CMPLNLGQSA-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 T7d6X3k6rp
Name cis-Doremox
CAS Registry Number 149713-23-5
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/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12+/m0/s1
InChIKey GDAVABNCFOTAOD-CMPLNLGQSA-N
Molecular Weight 176.259 g/mol
Number of Peaks 50
RI1 1397
RI2 1076
RI3 1251
RI4 1209
RI5 1372
SMILES C[C@@]1(C[C@@](OCC1)(c1ccccc1)[H])[H]
SPLASH splash10-056r-6900000000-894c46a4cd78f55bc730
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 2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
Wiley ID LM_FFNSC3_3222