| SpectraBase Spectrum ID |
KV3npqPPT43 |
| Name |
ENDOTHAL-H2O |
| 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 |
168.042258734 u |
| Formula |
C8H8O4 |
| InChI |
InChI=1S/C8H8O4/c9-3-4-5-1-2-6(12-5)7(4)8(10)11/h1-7H,(H,10,11) |
| InChIKey |
MJPIPWVFPWQNHP-UHFFFAOYSA-N |
| Molecular Weight |
168.148 g/mol |
| Nominal Mass |
168 u |
| Number of Peaks |
44 |
| SMILES |
OC(C1C(C2OC1C=C2)C=O)=O |
| SPLASH |
splash10-014i-9100000000-d9d9e0dd7d372cc059e9 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
3-formyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3817 |
