| SpectraBase Spectrum ID |
7INlJVpiGlB |
| Name |
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate |
| CAS Registry Number |
26460-67-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h6,9H,1,4-5,7H2,2-3H3 |
| InChIKey |
JMMLJZJUVKEVCK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.247 g/mol |
| Nominal Mass |
180 u |
| Quality |
835 |
| Retention Index |
1295 |
| SMILES |
C1(C(OC)=O)=CCC(CC1)C(=C)C |
| SPLASH |
splash10-014i-9600000000-c3ef5c6adcf4f836bef2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031716 |
