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3-(4-Nitrophenyl)-2-propynoic acid
SpectraBase Compound ID EBitUhUS2tP
InChI InChI=1S/C9H5NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,(H,11,12)
InChIKey SMMZCQTZVBTDLS-UHFFFAOYSA-N
Mol Weight 191.14 g/mol
Molecular Formula C9H5NO4
Exact Mass 191.021858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EumjSm9XRH
Name 3-(4-Nitrophenyl)-2-propynoic acid
CAS Registry Number 2216-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5NO4
InChI InChI=1S/C9H5NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,(H,11,12)
InChIKey SMMZCQTZVBTDLS-UHFFFAOYSA-N
Molecular Weight 191.142 g/mol
SMILES OC(C#Cc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0irc-9300000000-39e8b69289f7ae4244cb
Synonyms 3-(4-nitrophenyl)prop-2-ynoic acid 3-(4-Nitrophenyl)propiolic acid NSC 61874
Wiley ID 1470459