Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C18H18BrNO/c1-21-20-12-17-15-8-6-13-2-4-14(5-3-13)7-9-16(11-10-15)18(17)19/h2-5,10-12H,6-9H2,1H3/b20-12-
SMILES	CO/N=C\c1c2ccc(c1Br)CCc1ccc(CC2)cc1
InChI Key	VQEGCJLHLBTWRF-NDENLUEZSA-N
Molecular Formula	C18H18BrNO
Exact Mass	344.246 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VQEGCJLHLBTWRF-NDENLUEZSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/VQEGCJLHLBTWRF-NDENLUEZSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:17.774784
MetadataModified	2024-09-07T15:21:37.986419
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
102134720	PubChem
The data in this table is sourced from UniChem at EBI.