Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H14Br2O4/c19-11-1-3-15-13(9-11)14-10-12(20)2-4-16(14)18(23-7-8-24-18)17(15)21-5-6-22-17/h1-4,9-10H,5-8H2
SMILES Brc1ccc2c(-c3cc(Br)ccc3C3(C42OCCO4)OCCO3)c1
InChI Key XVBBILNJUIHVRO-UHFFFAOYSA-N
Molecular Formula C18H14Br2O4
Exact Mass 454.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XVBBILNJUIHVRO-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/XVBBILNJUIHVRO-UHFFFAOYSA-N/CHMO0000604
Version
Author Jason Hofmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:46:14.517641
MetadataModified 2025-01-29T16:38:43.643874
MetadataPublished 2024-11-25
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