(1R,4aS,8aS)-3,4a,8,8-Tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl acetate
- Formula: C16H24O3
- Molecular weight: 264.3600
- IUPAC Standard InChI: InChI=1S/C16H24O3/c1-10-9-12(19-11(2)17)13-15(3,4)7-6-8-16(13,5)14(10)18/h9,12-13H,6-8H2,1-5H3
- IUPAC Standard InChIKey: GRFRYZCZEBLHGL-UHFFFAOYSA-N
- CAS Registry Number: 220766-77-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1(4H)-Naphthalenone, 4-(acetyloxy)-4a,5,6,7,8,8a-hexahydro-2,5,5,8a-tetramethyl-, (4R,4aS,8aS)-; 6-Acetoxy-11-nor-drim-7-en-9-one
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1815.1 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1778. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2457. | Weyerstahl, Marschall, et al., 1998 | N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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