Dataset

high-resolution mass spectrometry (HRMS)

Chemical Information

InChI	InChI=1S/C18H16O/c1-13-15(11-12-18(13)19)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3/i2D,3D,4D,7D,8D
SMILES	[2H]c1c([2H])c([2H])c(c(c1[2H])c1ccccc1C1=C(C)C(=O)CC1)[2H]
InChI Key	WDXNCPIVWMURSV-ATTUOBAHSA-N
Exact Mass	253.350 g/mol

Data and Resources

• high-resolution mass spectrometry (HRMS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WDXNCPIVWMURSV-ATTUOBAHSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/WDXNCPIVWMURSV-ATTUOBAHSA-N/CHMO0000498
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.