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6-[(t-Butylsulfanyl))-2'-phenylethyl]-4-methoxy-5,6-dihydropyran-2-one
SpectraBase Compound ID 9SIuxDOJWI0
InChI InChI=1S/C18H24O3S/c1-18(2,3)22-16(10-13-8-6-5-7-9-13)15-11-14(20-4)12-17(19)21-15/h5-9,12,15-16H,10-11H2,1-4H3/t15-,16+/m1/s1
InChIKey BCYCWBZHSHMXTC-CVEARBPZSA-N
Mol Weight 320.45 g/mol
Molecular Formula C18H24O3S
Exact Mass 320.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kpw8Xtqf4Be
Name 6-[(t-Butylsulfanyl))-2'-phenylethyl]-4-methoxy-5,6-dihydropyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O3S
InChI InChI=1S/C18H24O3S/c1-18(2,3)22-16(10-13-8-6-5-7-9-13)15-11-14(20-4)12-17(19)21-15/h5-9,12,15-16H,10-11H2,1-4H3/t15-,16+/m1/s1
InChIKey BCYCWBZHSHMXTC-CVEARBPZSA-N
Molecular Weight 320.447 g/mol
SMILES C=1C(O[C@](CC1OC)([C@@](SC(C)(C)C)(Cc1ccccc1)[H])[H])=O
SPLASH splash10-054o-8900000000-34eb7a56f8c780034884
Source of Spectrum G-68-1000-16
Wiley ID 1520410