| SpectraBase Spectrum ID |
HcfRnDQoTtl |
| Name |
2-(But-2-enyl)-6-methoxy-benzoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-3-4-6-9-7-5-8-10(15-2)11(9)12(13)14/h3-5,7-8H,6H2,1-2H3,(H,13,14) |
| InChIKey |
BQSLQOQUMSDKBQ-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier CAB163 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/anie.201712520 |
| Molecular Weight |
206.241 g/mol |
| Quality |
92 |
| Reported Formula |
C12H14O3 |
| SMILES |
OC(C1=C(CC=CC)C=CC=C1OC)=O |
| SPLASH |
splash10-00p0-0900000000-da2ed0939abf94f31026 |
| Sample Comments |
E/Z = 1:1.2 |
| Source of Spectrum |
ACI-57-SM16-3bb (DOI: 10.1002/anie.201712520) |
| Wiley ID |
1893519 |
