Dataset

D-Limonene 400 MHz in DMSOd6 NMR data.

NMR data of D-limonene in DMSOd6. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 400 MHz (Jeol 400 MHz spectrometer with SuperCOOL Probe) (2019-10-07)

https://doi.org/10.7910/DVN/2UEA9M, Harvard Dataverse, V1

Chemical Info

molecular Image
InChI InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
SMILES C=C(C)C1CC=C(C)CC1
InChI Key XMGQYMWWDOXHJM-UHFFFAOYSA-N
Molecular Formula C10H16
Exact Mass 136.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s200.d974
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D974
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-05-15T09:39:48.185318
MetadataModified 2024-09-23T09:38:19.697970
MetadataPublished 2023-12-21 14:26:13
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
498518 eMolecules
CHEMBL15799 ChEMBL
15384 ChEBI
C06078 KEGG Ligand
65996-98-7 ACToR
5989-54-8 ACToR
26123-39-7 ACToR
138-86-3 ACToR
PD001977 ProbesDrugs
5989-27-5 ACToR
15146675 PubChem: Thomson Pharma
6876-12-6 ACToR
J2.532A Nikkaji
SCHEMBL8829 SureChEMBL
10008727 NMRShiftDB
AHEXES CCDC
LIMONENE, ()- rxnorm
9MC3I34447 FDA SRS
MCULE-2462317444 Mcule
DTXSID2029612 EPA CompTox Dashboard
22311 PubChem
9366 Brenda
MTBLC15384 Metabolights
HMDB0032473 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.