Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C42H25BN2O4/c1-5-16-38-32(12-1)44(33-13-2-6-17-39(33)46-38)26-20-22-36-30(24-26)28-10-9-11-29-31-25-27(21-23-37(31)49-43(48-36)42(28)29)45-34-14-3-7-18-40(34)47-41-19-8-4-15-35(41)45/h1-25H
SMILES c1ccc2c(c1)N(c1ccc3c(c1)c1cccc4c1b(o3)oc1c4cc(cc1)N1c3ccccc3Oc3c1cccc3)c1c(O2)cccc1
InChI Key SWTOBWMVFQISBW-UHFFFAOYSA-N
Molecular Formula C42H25BN2O4
Exact Mass 632.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SWTOBWMVFQISBW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SWTOBWMVFQISBW-UHFFFAOYSA-N/CHMO0000595
Version
Author Zhen Zhang
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-10-26
Related Molecule
  • 10-(16-phenoxazin-10-yl-2,20-dioxa-1-borapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14(19),15,17-nonaen-6-yl)phenoxazine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154723623 PubChem
    The data in this table is sourced from UniChem at EBI.