α-Pinene-2-oxide

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Systematic / IUPAC Name: 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane

ID: Reference323

Other Names: 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane;
3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-;
2,3-Epoxypinane;
α-Pinene oxide;
α-Pinene epoxide ; more

Formula: C10H16O

Class: Endogenous Metabolites

Spectral Data

α-Pinene-2-oxide 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 Elite
No. of Spectral Trees 1
No. of Spectra 174
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/16/2014 8:36:10 AM
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Identificators

InChI InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChI Key NQFUSWIGRKFAHK-UHFFFAOYSA-N
Canonical SMILES CC1(C2CC1C3(C(C2)O3)C)C
CAS 1686142
Splash
Other Names 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane;
3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-;
2,3-Epoxypinane;
α-Pinene oxide;
α-Pinene epoxide;
Pinane, 2,3-epoxy-;
α-Pinene 2,3-oxide

In Other Databases

ChemSpider 82629
ChEBI CHEBI:29060
ChEMBL CHEMBL274511
HMDb HMDB03667
PubChem 91508
ChemIDPlus 001686142; 032162279