Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
SMILES Nc1ccccc1B1OC(C(O1)(C)C)(C)C
InChI Key ZCJRWQDZPIIYLM-UHFFFAOYSA-N
Molecular Formula C12H18BNO2
Exact Mass 219.088 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZCJRWQDZPIIYLM-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/ZCJRWQDZPIIYLM-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:57:12.252060
MetadataModified 2025-01-29T16:48:50.365114
MetadataPublished 2024-12-09
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