Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C39H45NO7/c1-39(2,3)47-38(41)40-34-36(44-26-31-20-12-6-13-21-31)35(43-25-30-18-10-5-11-19-30)33(28-42-24-29-16-8-4-9-17-29)46-37(34)45-27-32-22-14-7-15-23-32/h4-23,33-37H,24-28H2,1-3H3,(H,40,41)/t33-,34-,35-,36-,37?/m1/s1
SMILES O=C(OC(C)(C)C)N[C@H]1C(OCc2ccccc2)O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
InChI Key OLEMKOKVXHTHBC-VXERKMLKSA-N
Molecular Formula C39H45NO7
Exact Mass 639.777 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OLEMKOKVXHTHBC-VXERKMLKSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OLEMKOKVXHTHBC-VXERKMLKSA-N/IR
Version
Author Benjamin Goerling
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • tert-butyl N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    53254763 pubchem
    The data in this table is sourced from UniChem at EBI.