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(2R,4R)-4-(4-Fluoro-phenylsulfanyl)-2-heptyl-tetrahydro-pyran
SpectraBase Compound ID J4uOMCFTEvY
InChI InChI=1S/C18H27FOS/c1-2-3-4-5-6-7-16-14-18(12-13-20-16)21-17-10-8-15(19)9-11-17/h8-11,16,18H,2-7,12-14H2,1H3/t16-,18-/m1/s1
InChIKey HIMYYLBLAGQKQV-SJLPKXTDSA-N
Mol Weight 310.47 g/mol
Molecular Formula C18H27FOS
Exact Mass 310.176665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CW8kNoCsjJ2
Name (2R,4R)-4-(4-Fluoro-phenylsulfanyl)-2-heptyl-tetrahydro-pyran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27FOS
InChI InChI=1S/C18H27FOS/c1-2-3-4-5-6-7-16-14-18(12-13-20-16)21-17-10-8-15(19)9-11-17/h8-11,16,18H,2-7,12-14H2,1H3/t16-,18-/m1/s1
InChIKey HIMYYLBLAGQKQV-SJLPKXTDSA-N
Molecular Weight 310.471 g/mol
SMILES [C@@]1(Sc2ccc(cc2)F)(C[C@@](CCCCCCC)(OCC1)[H])[H]
SPLASH splash10-001i-0903000000-64857e65e422bdcd75e3
Source of Spectrum F6-47-2508-8a
Synonyms 2-Heptyl-4-[p-fluorophenylthio]-tetrahydropyran
Wiley ID 1691528