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5-(l-Menthyloxy)-4-phenylthio-3-bromo-2(5H)-furanone
SpectraBase Compound ID ASOmon37CZn
InChI InChI=1S/C20H25BrO3S/c1-12(2)15-10-9-13(3)11-16(15)23-20-18(17(21)19(22)24-20)25-14-7-5-4-6-8-14/h4-8,12-13,15-16,20H,9-11H2,1-3H3/t13?,15?,16?,20-/m0/s1
InChIKey LTXDSRJMQXSTEU-QQQSGGDSSA-N
Mol Weight 425.38 g/mol
Molecular Formula C20H25BrO3S
Exact Mass 424.070779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID z5jkEWem4N
Name 5-(l-Menthyloxy)-4-phenylthio-3-bromo-2(5H)-furanone
Alternate Name(s) (S)-3-Bromo-5-(2-isopropyl-5-methyl-cyclohexyloxy)-4-phenylsulfanyl-5H-furan-2-one 3-Bromo-5-[(2-isopropyl-5-methylcyclohexyl)oxy]-4-(phenylsulfanyl)-2(5H)-furanone
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Formula C20H25BrO3S
InChI InChI=1S/C20H25BrO3S/c1-12(2)15-10-9-13(3)11-16(15)23-20-18(17(21)19(22)24-20)25-14-7-5-4-6-8-14/h4-8,12-13,15-16,20H,9-11H2,1-3H3/t13?,15?,16?,20-/m0/s1
InChIKey LTXDSRJMQXSTEU-QQQSGGDSSA-N
Molecular Weight 425.381 g/mol
SMILES C1(=C(C(=O)O[C@@]1(OC1C(CCC(C1)C)C(C)C)[H])Br)Sc1ccccc1
SPLASH splash10-004i-0210900000-f0edaa88ab72f80d511c
Source of Spectrum QC-6-404-6
Wiley ID 868727