Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H22N2O4S/c1-8(2)17-11(15)13-14(10-6-5-7-19-10)12(16)18-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,15)
SMILES CC(OC(=O)NN(C1CCCS1)C(=O)OC(C)C)C
InChI Key GHNPWNZLOWLHIB-UHFFFAOYSA-N
Exact Mass 290.379 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHNPWNZLOWLHIB-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/GHNPWNZLOWLHIB-UHFFFAOYSA-N/CHMO0000498
Version
Author Burkhard Koenig
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • propan-2-yl N-(propan-2-yloxycarbonylamino)-N-(thiolan-2-yl)carbamate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101452917 PubChem
    J2.543.431E Nikkaji
    The data in this table is sourced from UniChem at EBI.