- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChIKey: UPJFTVFLSIQQAV-UHFFFAOYSA-N
- CAS Registry Number: 4567-33-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Species with the same structure:
- Other names: (3S,3aR)-(-)-Sedanolide; trans-Sedanolide; trans-Neocnidilide; Sedanolide, trans-; 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aR)-; trans-3-butyl-3a,4,5,6-tetrahydrophthalide; Neocnidilide
- Information on this page:
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
View large format table.
|Column type||Active phase||I||Reference||Comment|
|Capillary||HP-5MS||1735.||Asuming, Beauchamp, et al., 2005||30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min|
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Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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