Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H16NO/c1-6-10-7-8-11-12(9-10)14(4,5)15(16)13(11,2)3/h1,7-9H,2-5H3
SMILES	C#Cc1ccc2c(c1)C(C)(C)N(C2(C)C)[O]
InChI Key	MEBOKUYVJSYXCR-UHFFFAOYSA-N
Molecular Formula	C14H16NO
Exact Mass	214.283 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MEBOKUYVJSYXCR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MEBOKUYVJSYXCR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:47:54.486632
MetadataModified	2024-09-07T17:27:47.464413
MetadataPublished	2020-04-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.642.423B	Nikkaji
102478696	PubChem
The data in this table is sourced from UniChem at EBI.