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2-Thiophenemethanol, .alpha.-methyl-5-nitro-, acetate (ester)
SpectraBase Compound ID JbXMUIM97nl
InChI InChI=1S/C8H9NO4S/c1-5(13-6(2)10)7-3-4-8(14-7)9(11)12/h3-5H,1-2H3
InChIKey KUNDIKYWDRHANG-UHFFFAOYSA-N
Mol Weight 215.22 g/mol
Molecular Formula C8H9NO4S
Exact Mass 215.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jGrzbcTPY2
Name 2-Thiophenemethanol, .alpha.-methyl-5-nitro-, acetate (ester)
Alternate Name(s) 1-(5-Nitro-2-thienyl)ethyl acetate
CAS Registry Number 74786-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO4S
InChI InChI=1S/C8H9NO4S/c1-5(13-6(2)10)7-3-4-8(14-7)9(11)12/h3-5H,1-2H3
InChIKey KUNDIKYWDRHANG-UHFFFAOYSA-N
Molecular Weight 215.223 g/mol
SMILES c1(N(=O)=O)sc(C(OC(=O)C)C)cc1
SPLASH splash10-0596-9700000000-472f79188eff45b6b882
Source of Spectrum B-32-2656-0
Wiley ID 1214321