Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C21H14O3/c22-18-14-6-2-4-8-16(14)20(24)21-11-12(9-10-17(18)21)13-5-1-3-7-15(13)19(21)23/h1-8,10,12H,9,11H2/t12-,21+/m1/s1
SMILES	O=C1c2ccccc2C(=O)[C@]23C1=CC[C@H](C2)c1c(C3=O)cccc1
InChI Key	IKYAJDXLFUIGJJ-GTJPDFRWSA-N
Molecular Formula	C21H14O3
Exact Mass	314.334 g/mol

Data and Resources

• electron ionisation mass spectrometry (EI-MS)HTML
  Explore

  • More information
  • Go to resource

• electron-ionisation...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IKYAJDXLFUIGJJ-GTJPDFRWSA-N/CHMO0000480
License URL
Source	https://www.chemotion-repository.net/inchikey/IKYAJDXLFUIGJJ-GTJPDFRWSA-N/CHMO0000480
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:06:59.337824
MetadataModified	2024-09-07T17:53:44.498794
MetadataPublished	2020-05-07

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
UYUHEE	CCDC
146035854	PubChem
The data in this table is sourced from UniChem at EBI.