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1-(4-(benzyloxy)but-1-ynyl)cyclopropyl 4-methylbenzenesulfonate
SpectraBase Compound ID 34q0WWHf6ls
InChI InChI=1S/C21H22O4S/c1-18-9-11-20(12-10-18)26(22,23)25-21(14-15-21)13-5-6-16-24-17-19-7-3-2-4-8-19/h2-4,7-12H,6,14-17H2,1H3
InChIKey PGRCNUODKXDGPR-UHFFFAOYSA-N
Mol Weight 370.46 g/mol
Molecular Formula C21H22O4S
Exact Mass 370.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sLUaFhWhfr
Name 1-(4-(benzyloxy)but-1-ynyl)cyclopropyl 4-methylbenzenesulfonate
Alternate Name(s) 1-(4-(benzyloxy)but-1-yn-1-yl)cyclopropyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4S
InChI InChI=1S/C21H22O4S/c1-18-9-11-20(12-10-18)26(22,23)25-21(14-15-21)13-5-6-16-24-17-19-7-3-2-4-8-19/h2-4,7-12H,6,14-17H2,1H3
InChIKey PGRCNUODKXDGPR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600357
Molecular Weight 370.463 g/mol
SMILES C1C(C1)(OS(c1ccc(cc1)C)(=O)=O)C#CCCOCc1ccccc1
SPLASH splash10-0006-9300000000-6b5c155c9e236917fd71
Source of Spectrum ASC-358-2398/SM8-1e
Wiley ID 1807482