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2-Thiophenemethanol, .alpha.-methyl-4-nitro-, acetate (ester)
SpectraBase Compound ID 61f9c6IlheS
InChI InChI=1S/C8H9NO4S/c1-5(13-6(2)10)8-3-7(4-14-8)9(11)12/h3-5H,1-2H3
InChIKey LZORWTZUCAJJQN-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 8uDXsSEgrUY
Name 2-Thiophenemethanol, .alpha.-methyl-4-nitro-, acetate (ester)
Alternate Name(s) 1-(4-Nitro-2-thienyl)ethyl acetate
CAS Registry Number 74786-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO4S
InChI InChI=1S/C8H9NO4S/c1-5(13-6(2)10)8-3-7(4-14-8)9(11)12/h3-5H,1-2H3
InChIKey LZORWTZUCAJJQN-UHFFFAOYSA-N
Molecular Weight 215.223 g/mol
SMILES c1(N(=O)=O)cc(C(OC(=O)C)C)sc1
SPLASH splash10-052f-9600000000-6c35da05f2782c44cad0
Source of Spectrum B-32-2656-0
Wiley ID 1214322