Dataset

BENZYL 3-PHENYL-2-PROPENOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007352 contains the MS mass spectrum of BENZYL 3-PHENYL-2-PROPENOATE with the InChIkey NGHOLYJTSCBCGC-VAWYXSNFSA-N.

Chemical Info

InChI	InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
SMILES	O=C(C=Cc(c2)cccc2)OCc(c1)cccc1
InChI Key	NGHOLYJTSCBCGC-VAWYXSNFSA-N
Molecular Formula	C16H14O2
Exact Mass	238.099 g/mol

Data and Resources

BENZYL 3-PHENYL-2-PROPENOATEHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007352
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:49.120565
MetadataModified	2024-01-11T15:57:49.291514
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL361197	ChEMBL
490509	eMolecules
50149609	BindingDB
225450	Brenda
ZINC000012358883	ZINC
146174	ChEBI
HY-N7090	MedChemExpress
BENZYL CINNAMATE	rxnorm
150617	Brenda
198486	Brenda
DTXSID00880905	EPA CompTox Dashboard
CB7413201	ChemicalBook
5273469	PubChem
60021505	NMRShiftDB
PD014749	ProbesDrugs
14798315	PubChem: Thomson Pharma
V67O3RO97U	FDA SRS
103-41-3	ACToR
J5.016D	Nikkaji
J106.759A	Nikkaji
SCHEMBL43212	SureChEMBL
The data in this table is sourced from UniChem at EBI.