Dataset

high-resolution mass spectrometry (HRMS)

Chemical Information

InChI	InChI=1S/C18H16O/c1-18-15-9-5-4-8-13(15)12-6-2-3-7-14(12)16(18)10-11-17(18)19/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1/i4D,5D,8D,9D,16D
SMILES	[2H]c1c([2H])c([2H])c2-c3ccccc3[C@@]3([C@](c2c1[2H])(C)C(=O)CC3)[2H]
InChI Key	SFWAVJVILKDUQG-ZFDXRJSUSA-N
Exact Mass	253.350 g/mol

Data and Resources

• high-resolution mass spectrometry (HRMS)HTML
  Go to source

• high-resolution-mas...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SFWAVJVILKDUQG-ZFDXRJSUSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/SFWAVJVILKDUQG-ZFDXRJSUSA-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.