| SpectraBase Spectrum ID |
AsnbHoHqNy6 |
| Name |
Methyl communate |
| CAS Registry Number |
10178-35-5 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm 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 |
| Nominal Mass |
316 u |
| Number of Peaks |
244 |
| 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 |
| Wiley ID |
RA000939 |
