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Ethoxy-(4-nitrophenoxy)methanethione
SpectraBase Compound ID FSSEOaG6F0J
InChI InChI=1S/C9H9NO4S/c1-2-13-9(15)14-8-5-3-7(4-6-8)10(11)12/h3-6H,2H2,1H3
InChIKey BYDJGZKLDZPEAU-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H9NO4S
Exact Mass 227.025229 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4PH9g2PluL
Name Ethoxy-(4-nitrophenoxy)methanethione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.025228944 u
Formula C9H9NO4S
InChI InChI=1S/C9H9NO4S/c1-2-13-9(15)14-8-5-3-7(4-6-8)10(11)12/h3-6H,2H2,1H3
InChIKey BYDJGZKLDZPEAU-UHFFFAOYSA-N
Molecular Weight 227.234 g/mol
SMILES C=1(N(=O)=O)C=CC(OC(=S)OCC)=CC1
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