(+/-)-C75

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Systematic / IUPAC Name: 4-Methylene-2-octyl-5-oxotetrahydro-3-furancarboxylic acid

ID: Reference6613

Other Names: C75;
3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-;
4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid;
4-Methylidene-2-octyl-5-oxooxolane-3-carboxylic acid;
Tetrahydro-4-methylene-2R-octyl-5-oxo-3S-furancarboxylic acid

Formula: C14H22O4

Spectral Data

(+/-)-C75 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
No. of Spectral Trees 2
No. of Spectra 6784
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/14/2017 6:43:02 AM
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Identificators

InChI InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)
InChI Key VCWLZDVWHQVAJU-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O
CAS 191282481
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Other Names C75;
3-Furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-;
4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid;
4-Methylidene-2-octyl-5-oxooxolane-3-carboxylic acid;
Tetrahydro-4-methylene-2R-octyl-5-oxo-3S-furancarboxylic acid

In Other Databases

PubChem 4248455
ChEBI CHEBI:95108
ChEMBL CHEMBL477382
ChemSpider 3456585