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1-Phenethylcyclopropyl 4-methylbenzenesulfonate
SpectraBase Compound ID 8K4fyTU17Sp
InChI InChI=1S/C18H20O3S/c1-15-7-9-17(10-8-15)22(19,20)21-18(13-14-18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKey QWVFZUPNLLOALE-UHFFFAOYSA-N
Mol Weight 316.42 g/mol
Molecular Formula C18H20O3S
Exact Mass 316.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1VWnMEApbk
Name 1-Phenethylcyclopropyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3S
InChI InChI=1S/C18H20O3S/c1-15-7-9-17(10-8-15)22(19,20)21-18(13-14-18)12-11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKey QWVFZUPNLLOALE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600357
Molecular Weight 316.415 g/mol
SMILES C1C(C1)(OS(c1ccc(cc1)C)(=O)=O)CCc1ccccc1
SPLASH splash10-052f-7900000000-2607668d426c75c01869
Source of Spectrum ASC-358-2398/SM9-S7
Wiley ID 1807516