Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C35H59N3O2/c1-6-7-8-9-10-11-12-13-14-22-37-24-33(40)38(25-32(36)39)26-34(4)20-15-21-35(5)30-23-29(27(2)3)17-16-28(30)18-19-31(34)35/h16-17,23,27,31,37H,6-15,18-22,24-26H2,1-5H3,(H2,36,39)/t31-,34+,35+/m0/s1
SMILES CCCCCCCCCCCNCC(=O)N(C[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(cc1)C(C)C)C)CC(=O)N
InChI Key NMAVCVIQUNAVOI-FSRLPRDNSA-N
Molecular Formula C35H59N3O2
Exact Mass 553.862 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NMAVCVIQUNAVOI-FSRLPRDNSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NMAVCVIQUNAVOI-FSRLPRDNSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:28:08.675834
MetadataModified 2024-09-07T15:39:18.512128
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453701 PubChem
The data in this table is sourced from UniChem at EBI.