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1-Propyn-1-ol, 4-nitrobenzoate
SpectraBase Compound ID 2NIIGHeaBMC
InChI InChI=1S/C10H7NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,1H3
InChIKey JZBNRMOSHBKUKQ-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C10H7NO4
Exact Mass 205.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ShVMGRefDW
Name 1-Propyn-1-ol, 4-nitrobenzoate
CAS Registry Number 113779-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NO4
InChI InChI=1S/C10H7NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,1H3
InChIKey JZBNRMOSHBKUKQ-UHFFFAOYSA-N
Molecular Weight 205.169 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)OC#CC)cc1
SPLASH splash10-0udi-0900000000-57cedae94fb5b48a03d9
Source of Spectrum C-110-3274-6
Synonyms 1-Propynyl 4-nitrobenzoate 1-Propynyl p-nitrobenzoate
Wiley ID 1203256