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4-Methylbenzenesulfonic acid 4-[3-(1-methoxy-1-methyl-ethoxy)cyclopenten-1-yl]butyl ester
SpectraBase Compound ID 1hRaopjxVrk
InChI InChI=1S/C20H30O5S/c1-16-8-12-19(13-9-16)26(21,22)24-14-6-5-7-17-10-11-18(15-17)25-20(2,3)23-4/h8-9,12-13,15,18H,5-7,10-11,14H2,1-4H3
InChIKey MPPGKLXDVCNLNQ-UHFFFAOYSA-N
Mol Weight 382.52 g/mol
Molecular Formula C20H30O5S
Exact Mass 382.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIRze0oBsPc
Name 4-Methylbenzenesulfonic acid 4-[3-(1-methoxy-1-methyl-ethoxy)cyclopenten-1-yl]butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O5S
InChI InChI=1S/C20H30O5S/c1-16-8-12-19(13-9-16)26(21,22)24-14-6-5-7-17-10-11-18(15-17)25-20(2,3)23-4/h8-9,12-13,15,18H,5-7,10-11,14H2,1-4H3
InChIKey MPPGKLXDVCNLNQ-UHFFFAOYSA-N
Molecular Weight 382.515 g/mol
SMILES c1(S(=O)(=O)OCCCCC2=CC(OC(OC)(C)C)CC2)ccc(cc1)C
SPLASH splash10-007o-9600000000-70ba09d13d79e334b043
Source of Spectrum J-58-1974-0
Synonyms 4-Methylbenzenesulfonic acid 4-[3-(2-methoxypropan-2-yloxy)-1-cyclopentenyl]butyl ester 4-[3-(1-methoxy-1-methyl-ethoxy)cyclopenten-1-yl]butyl 4-methylbenzenesulfonate 4-[3-(2-methoxypropan-2-yloxy)cyclopenten-1-yl]butyl 4-methylbenzenesulfonate
Wiley ID 1360504