Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2O3/c1-9-7-11(8-10(2)15-9)14(17)12-5-3-4-6-13(12)16(18)19/h3-8H,1-2H3
SMILES Cc1nc(C)cc(c1)C(=O)c1ccccc1[N+](=O)[O-]
InChI Key FRUIOTIVENFZJQ-UHFFFAOYSA-N
Molecular Formula C14H12N2O3
Exact Mass 256.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FRUIOTIVENFZJQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/FRUIOTIVENFZJQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:19:18.312189
MetadataModified 2024-09-07T20:46:23.816793
MetadataPublished 2021-12-21
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