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1-Pentene-1-sulfonic acid, 4-methyl-, 1-methylethyl ester, (Z)-
SpectraBase Compound ID AnHitTvXNDc
InChI InChI=1S/C9H18O3S/c1-8(2)6-5-7-13(10,11)12-9(3)4/h5,7-9H,6H2,1-4H3/b7-5-
InChIKey XEDAWRLQWLFFLE-ALCCZGGFSA-N
Mol Weight 206.3 g/mol
Molecular Formula C9H18O3S
Exact Mass 206.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUR2CFfAErE
Name 1-Pentene-1-sulfonic acid, 4-methyl-, 1-methylethyl ester, (Z)-
CAS Registry Number 114086-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3S
InChI InChI=1S/C9H18O3S/c1-8(2)6-5-7-13(10,11)12-9(3)4/h5,7-9H,6H2,1-4H3/b7-5-
InChIKey XEDAWRLQWLFFLE-ALCCZGGFSA-N
Molecular Weight 206.300 g/mol
SMILES C(\C=C/S(=O)(=O)OC(C)C)C(C)C
SPLASH splash10-05fr-5900000000-eb2776c8472e76ae8e2f
Source of Spectrum F-43-5132-5
Synonyms isopropyl (1Z)-4-methyl-1-pentene-1-sulfonate Isopropyl 4-methyl-1-pentenesulphonate
Wiley ID 1203951