Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H14N2O/c15-12-9-5-2-6-13-11(9)10(14-12)7-8-3-1-4-8/h2,5-6,8,10H,1,3-4,7H2,(H,14,15)
SMILES O=C1NC(c2c1cccn2)CC1CCC1
InChI Key VAZUNJGWBOQFQM-UHFFFAOYSA-N
Exact Mass 202.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VAZUNJGWBOQFQM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VAZUNJGWBOQFQM-UHFFFAOYSA-N/CHMO0000593
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-21
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-03-28

Starting time : 05:53:56 UTC

Creator : Philip Freund

label : PFR-105

id : 154043

Solvent used for referencing : CDCl3

temperature : 303.9965 K

PULPROG : zg30

number of scans : 16 scans

instrument : spect

Name : Parameter file, TOPSPIN Version 3.2

Version : Parameter file, TOPSPIN Version 3.2

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