Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C12H15N3O/c1-12(2,3)11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3,(H2,13,14)
SMILES	Nc1nn(c2c1cccc2)C(=O)C(C)(C)C
InChI Key	QCULHPGMKXPELA-UHFFFAOYSA-N
Molecular Formula	C12H15N3O
Exact Mass	217.267 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/QCULHPGMKXPELA-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/QCULHPGMKXPELA-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:26:40.696463
MetadataModified	2024-09-07T15:37:09.787354
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables