| SpectraBase Spectrum ID |
2eFSR2NeSG |
| Name |
(Z)-Methyl communate |
| CAS Registry Number |
10178-35-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C21H32O2/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18+,20+,21-/m1/s1 |
| InChIKey |
WYJKGKPQXWDIQP-RTJUBGPPSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
[C@@]12(C)[C@@]([C@@](C(OC)=O)(C)CCC2)(CCC([C@]1(C\C=C/(C)C=C)[H])=C)[H] |
| SPLASH |
splash10-054o-9810000000-80ae98fbd9303ac09533 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Methyl communate |
| Wiley ID |
1886700 |
