| SpectraBase Spectrum ID |
7QeyJFbMEvU |
| Name |
Spiroether |
| CAS Registry Number |
50257-98-2 |
| 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 |
200.083729624 u |
| Formula |
C13H12O2 |
| 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/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+ |
| InChIKey |
WTRXKCNFPMTAJV-KPKJPENVSA-N |
| Molecular Weight |
200.237 g/mol |
| Nominal Mass |
200 u |
| Number of Peaks |
88 |
| SMILES |
C=1\C(OC2(C1)OCCC2)=C/C#CC#CC |
| SPLASH |
splash10-0ufr-7920000000-74f5b32b0b2af7e988a5 |
| Source |
ex CHAMOMILE OIL, SPAIN, ex KUBECZKA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002187 |
