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(2S*,4R*,5R*)-4-(p-Toluenesulfonyloxy)tricyclo[4.2.1.0(2,5)]-non-7-en-3-one
SpectraBase Compound ID 1mO9Tfs0lNQ
InChI InChI=1S/C16H16O4S/c1-9-2-6-12(7-3-9)21(18,19)20-16-14-11-5-4-10(8-11)13(14)15(16)17/h2-7,10-11,13-14,16H,8H2,1H3/t10?,11?,13-,14+,16+/m0/s1
InChIKey OONLWBXIAMKFMR-FOGNLSCVSA-N
Mol Weight 304.36 g/mol
Molecular Formula C16H16O4S
Exact Mass 304.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcGuxlsKHPI
Name (2S*,4R*,5R*)-4-(p-Toluenesulfonyloxy)tricyclo[4.2.1.0(2,5)]-non-7-en-3-one
CAS Registry Number 67737-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4S
InChI InChI=1S/C16H16O4S/c1-9-2-6-12(7-3-9)21(18,19)20-16-14-11-5-4-10(8-11)13(14)15(16)17/h2-7,10-11,13-14,16H,8H2,1H3/t10?,11?,13-,14+,16+/m0/s1
InChIKey OONLWBXIAMKFMR-FOGNLSCVSA-N
Molecular Weight 304.360 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C(=O)[C@@]2([C@]1(C1C=CC2C1)[H])[H])[H]
SPLASH splash10-0a5d-9800000000-b78c59a7859b4cc4200f
Source of Spectrum J-43-4562-0
Synonyms (2R,3R,5S)-4-oxotricyclo[4.2.1.0(2,5)]non-7-en-3-yl 4-methylbenzenesulfonate
Wiley ID 1306286