Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C11H16BrNO/c1-7(2)10-5-9(12)6-11(8(3)4)13(10)14/h5-8H,1-4H3
SMILES Brc1cc(C(C)C)[n+](c(c1)C(C)C)[O-]
InChI Key PWEZLUVVDHPRAR-UHFFFAOYSA-N
Molecular Formula C11H16BrNO
Exact Mass 258.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PWEZLUVVDHPRAR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PWEZLUVVDHPRAR-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:18:44.009462
MetadataModified 2024-09-07T15:25:16.578440
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables