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2-Nitrobenzoic acid -1-c13
SpectraBase Compound ID HUu02AqOcck
InChI InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)/i5+1
InChIKey SLAMLWHELXOEJZ-HOSYLAQJSA-N
Mol Weight 168.11 g/mol
Molecular Formula C613CH5NO4
Exact Mass 168.025212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EykMXjRjw9c
Name 2-Nitrobenzoic acid -1-c13
CAS Registry Number 41398-24-7
Comments Original formula: C6[13C]H5NO4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO4
InChI InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)/i5+1
InChIKey SLAMLWHELXOEJZ-HOSYLAQJSA-N
Molecular Weight 168.112 g/mol
SMILES OC([13c]1c(N(=O)=O)cccc1)=O
SPLASH splash10-014l-9300000000-0cd0cb3684cd02524443
Source of Spectrum O-7-385-1
Wiley ID 1163423