| SpectraBase Spectrum ID |
4T2hbloHrp2 |
| Name |
(+)-Caprutriene C |
| Appearance |
White solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40 |
| InChI |
InChI=1S/C25H40/c1-18(2)21-12-16-25(6)15-11-19(3)9-10-22-20(4)8-7-14-24(22,5)17-13-23(21)25/h8,11,21-23H,1,7,9-10,12-17H2,2-6H3/b19-11+/t21-,22+,23-,24-,25-/m0/s1 |
| InChIKey |
ADADJNBUGCVMTJ-UXVMCUQHSA-N |
| Inlet Type |
Splitless |
| Instrument Name |
Agilent 7890B-5977A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201711444 |
| Molecular Weight |
340.595 g/mol |
| Optical Rotation |
[a]D20 = +21.2 (c = 0.33, acetone) |
| Quality |
814 |
| SMILES |
C1C\C(=C\C[C@@]2([C@@](CC[C@@]3(CCC=C([C@@]13[H])C)C)([C@@](CC2)(C(=C)C)[H])[H])C)C |
| SPLASH |
splash10-00di-4900000000-17bf06992e20afd8c30f |
| Source of Spectrum |
ACI-57-SM20-3b (DOI: 10.1002/anie.201711444) |
| Wiley ID |
1891184 |
