Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C35H44N5O3Si.ClH/c1-8-38(9-2)25-16-18-29-31(22-25)43-32-23-26(39(10-3)11-4)17-19-30(32)34(29)27-14-12-13-15-28(27)35(41)42-21-20-40-24-33(36-37-40)44(5,6)7;/h12-19,22-24H,8-11,20-21H2,1-7H3;1H/q+1;/p-1
SMILES CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)OCCn2nnc(c2)[Si](C)(C)C)ccc(=[N+](CC)CC)c1)CC.[Cl-]
InChI Key NMDWDFARCPAUTB-UHFFFAOYSA-M
Molecular Formula C35H44ClN5O3Si
Exact Mass 646.294 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NMDWDFARCPAUTB-UHFFFAOYSA-M/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NMDWDFARCPAUTB-UHFFFAOYSA-M/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:14:11.617149
MetadataModified 2024-09-07T15:18:31.051892
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453484 PubChem
The data in this table is sourced from UniChem at EBI.