Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C11H16O2/c1-7(2)9-6-10(12)8(3)5-11(9)13-4/h5-7,12H,1-4H3
SMILES	COc1cc(C)c(cc1C(C)C)O
InChI Key	NXUKKIRUGGHAKL-UHFFFAOYSA-N
Molecular Formula	C11H16O2
Exact Mass	180.244 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NXUKKIRUGGHAKL-UHFFFAOYSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/NXUKKIRUGGHAKL-UHFFFAOYSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:16:58.932547
MetadataModified	2024-09-07T15:22:39.121767
MetadataPublished	2019-06-27

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
11105955	PubChem
16179005	PubChem: Thomson Pharma
60046919	NMRShiftDB
J2.370.405F	Nikkaji
The data in this table is sourced from UniChem at EBI.