Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C11H14N2O3/c1-8(10(12)14)13-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,12,14)(H,13,15)/t8-/m0/s1
SMILES C[C@@H](C(=O)N)NC(=O)OCc1ccccc1
InChI Key CTZZSWNVVFTJRN-QMMMGPOBSA-N
Molecular Formula C11H14N2O3
Exact Mass 222.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CTZZSWNVVFTJRN-QMMMGPOBSA-N/NMR/1H/CDCl3/300
License URL
Source https://www.chemotion-repository.net/inchikey/CTZZSWNVVFTJRN-QMMMGPOBSA-N/NMR/1H/CDCl3/300
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • benzyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000399532 ZINC
    MCULE-1263381593 Mcule
    J1.335.350F Nikkaji
    CB7263657 ChemicalBook
    15588378 PubChem: Thomson Pharma
    SCHEMBL591895 SureChEMBL
    25691397 eMolecules
    6950968 PubChem
    The data in this table is sourced from UniChem at EBI.