16-Heptadecyne-1,2,4-triol

Systematic / IUPAC Name: Heptadec-16-yne-1,2,4-triol

ID: Reference8017

Other Names: Avocadyne

Formula: C17H32O3

Spectral Data

16-Heptadecyne-1,2,4-triol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 468
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/1/2018 7:45:36 AM
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Identificators

InChI InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2
InChI Key OHLQBKZXSJYBMK-UHFFFAOYSA-N
Canonical SMILES C#CCCCCCCCCCCCC(CC(CO)O)O
CAS
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Other Names Avocadyne

In Other Databases

ChemIDPlus 24607054; 024607054
PubChem 3015189
ChemSpider 2283375
ChEMBL CHEMBL443127
HMDb HMDB35473