| SpectraBase Spectrum ID |
HtBVAyp3ndS |
| Name |
(1R,7R,7aR,11aR)-7-isopropyl-1,4,9-trimethyl-2,3,5,6,7,7a,10,11-octahydro-1H-benzo[d]azulene |
| Appearance |
Colourless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.250401030 u |
| Formula |
C20H32 |
| InChI |
InChI=1S/C20H32/c1-13(2)17-8-6-15(4)18-9-7-16(5)20(18)11-10-14(3)12-19(17)20/h12-13,16-17,19H,6-11H2,1-5H3/t16-,17-,19+,20+/m1/s1 |
| InChIKey |
QKYMGWUTPNTJDU-JYBIWHBTSA-N |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803800 |
| Molecular Weight |
272.476 g/mol |
| Optical Rotation |
[a]D20 = -15.5 (c = 0.19, C6D6) |
| Quality |
500 |
| Reported Formula |
C20H32 |
| SMILES |
[C@@]1([C@]2([C@@]3(C(=C(CC1)C)CC[C@]3(C)[H])CCC(=C2)C)[H])(C(C)C)[H] |
| SPLASH |
splash10-0aba-3930000000-361374c66bc8eccb24f3 |
| Sample Comments |
(-)-Bonnadiene |
| Source of Spectrum |
ACI-57-SM5-1 (DOI: 10.1002/anie.201803800) |
| Thin-Layer Chromatography |
0.84 (pentane) |
| Wiley ID |
1891092 |
![(1R,7R,7aR,11aR)-7-isopropyl-1,4,9-trimethyl-2,3,5,6,7,7a,10,11-octahydro-1H-benzo[d]azulene](/api/spectrum/HtBVAyp3ndS/structure.png?h=300&w=458 "(1R,7R,7aR,11aR)-7-isopropyl-1,4,9-trimethyl-2,3,5,6,7,7a,10,11-octahydro-1H-benzo[d]azulene")
