Molecule

7-methyl-3-methylideneocta-1,6-diene

Chemical Information

Molecular Image

InChI	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
SMILES	C=CC(=C)CCC=C(C)C
InChI Key	UAHWPYUMFXYFJY-UHFFFAOYSA-N
Exact Mass	136.230 g/mol

17 Related Dataset(s) ⌄

BETA-MYRCENE; EI-B; MS

Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_13C_400MHz_Jeol.jdf]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HMBC_400MHz_Jeol.jdf]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Mycene_3120ug200uL_CDCl3_HSQC_400MHz_Jeol.jdf]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1H_400MHz_Jeol.jdf]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_60MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_1HNMR_900MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_JDX.jdx]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_400MHz_Jeol.jdf]

Myrcene 60/400/900 MHz in CDCl3 NMR data[Myrcene_100000ug700uL_CDCl3_COSY_900MHz_JDX.jdx]

Myrcene; APCI-ITFT; MS2; CE: 35 CID; [M+H]+

Myrcene; APCI-ITFT; MS2; CE: HCD 90; [M-H]-

MYRCENE; EI-B; MS

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol1891
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:17221	chebi
LMPR0102010005	lipidmaps
CHEMBL455491	chembl
21622	surechembl
31253	pubchem
3M39CZS25B	fdasrs
PD080528	probes_and_drugs
24584	brenda
6090	brenda
HMDB0038169	hmdb
DTXSID6025692	comptox
NCT04451863	clinicaltrials
NCT05432284	clinicaltrials
FDB017400	foodb
Molport-001-792-515	molport
The data in this table is sourced from UniChem at EBI.