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1H-Pyrrole-2-propanol, 1-methyl-, methanesulfonate (ester)
SpectraBase Compound ID BYmPzEf1YtP
InChI InChI=1S/C9H15NO3S/c1-10-7-3-5-9(10)6-4-8-13-14(2,11)12/h3,5,7H,4,6,8H2,1-2H3
InChIKey HQEKBRRKFOTELE-UHFFFAOYSA-N
Mol Weight 217.28 g/mol
Molecular Formula C9H15NO3S
Exact Mass 217.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53BByZ7pYZ2
Name 1H-Pyrrole-2-propanol, 1-methyl-, methanesulfonate (ester)
Alternate Name(s) 3-(1-methyl-1H-pyrrol-2-yl)propyl methanesulfonate 3-(1-Methyl-2-pyrrolyl)propanol methanesulfonate
CAS Registry Number 69917-87-9
Comments Less than 3 mono-isotopic peaks
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Formula C9H15NO3S
InChI InChI=1S/C9H15NO3S/c1-10-7-3-5-9(10)6-4-8-13-14(2,11)12/h3,5,7H,4,6,8H2,1-2H3
InChIKey HQEKBRRKFOTELE-UHFFFAOYSA-N
Molecular Weight 217.283 g/mol
SMILES C(OS(=O)(=O)C)CCc1[n](ccc1)C
SPLASH splash10-0006-9000000000-b1cc92c309ec5f59bb55
Source of Spectrum C-101-1262-0
Wiley ID 1216313