Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C40H49N3O11/c1-8-34(44)41-31(39(47)52-6)20-29(35(41)25-12-16-27(51-5)17-13-25)37(45)42-32(40(48)53-7)21-30(36(42)24-10-14-26(15-11-24)43(49)50)38(46)54-33-19-23(4)9-18-28(33)22(2)3/h8,10-17,22-23,28-33,35-36H,1,9,18-21H2,2-7H3/t23-,28+,29-,30+,31-,32+,33-,35-,36+/m1/s1
SMILES COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N([C@@H]1c1ccc(cc1)OC)C(=O)C=C)C(=O)OC)c1ccc(cc1)[N+](=O)[O-])C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key AKGJLRBWMCYPCO-FDZQODHASA-N
Molecular Formula C40H49N3O11
Exact Mass 747.831 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AKGJLRBWMCYPCO-FDZQODHASA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/AKGJLRBWMCYPCO-FDZQODHASA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:17:29.770145
MetadataModified 2024-09-07T15:23:25.423773
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
138453531 PubChem
The data in this table is sourced from UniChem at EBI.