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7-Acetoxymethyene-5-.alpha.(-methylthio)acetyl-3-isopropyl-2-oxabicyclo[4.3.0]nona-3,8-diene
SpectraBase Compound ID 8IH9iyyVKIk
InChI InChI=1S/C16H20O4S/c1-9(2)14-7-12(16(18)21-4)15-11(8-19-10(3)17)5-6-13(15)20-14/h5-9,12-13,15H,1-4H3/b11-8-/t12-,13?,15?/m1/s1
InChIKey VLKUZQUIXJCXPU-RWXOROJESA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVigOyUS8EY
Name 7-Acetoxymethyene-5-.alpha.(-methylthio)acetyl-3-isopropyl-2-oxabicyclo[4.3.0]nona-3,8-diene
Alternate Name(s) (Z)-((4S)-2-isopropyl-4-[(methylsulfanyl)carbonyl]-4a,7a-dihydrocyclopenta[b]pyran-5(4H)-ylidene)methyl acetate 7-Acetoxymethyene-5-.alpha.(-methylthio)acetyl-3-isopropyl-2-oxacyclo[4.3.0]nona-3,8-diene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-9(2)14-7-12(16(18)21-4)15-11(8-19-10(3)17)5-6-13(15)20-14/h5-9,12-13,15H,1-4H3/b11-8-/t12-,13?,15?/m1/s1
InChIKey VLKUZQUIXJCXPU-RWXOROJESA-N
Molecular Weight 308.392 g/mol
SMILES [C@@]1(C=C(C(C)C)OC2C1\C(C=C2)=C/OC(=O)C)(C(=O)SC)[H]
SPLASH splash10-03di-0091000000-75f4fb967788381a4f1d
Source of Spectrum F-53-17661-13
Wiley ID 805027