Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

InChI	InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
SMILES	Cc1ccc(cc1)c1ccc(cc1)C
InChI Key	RZTDESRVPFKCBH-UHFFFAOYSA-N
Exact Mass	182.261 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RZTDESRVPFKCBH-UHFFFAOYSA-N/CHMO0001148
License URL
Source	https://www.chemotion-repository.net/inchikey/RZTDESRVPFKCBH-UHFFFAOYSA-N/CHMO0001148
Version
Author	Peter Bäuerle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-19
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear multiple bond coherence
Measurement Variables	date : 2025-08-16 starting time : 11:55:35 UTC creator : Sylvia Vanderheiden-Schroen label : ComP-25540 id : 355818 Solvent : CDCl3 temperature : 298.00156414228 K PULPROG : hmbcgpndqf number of scans : 8 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
197731	surechembl
11941	pubchem
5J314QOJ2V	fdasrs
BTOLYL	CCDC
Molport-001-763-713	molport
The data in this table is sourced from UniChem at EBI.