| SpectraBase Spectrum ID |
GVsAKqq853u |
| Name |
1,4,5,8-Tetrahydro-4A,8A-naphthalenedicarboxylic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.078644243 u |
| Formula |
C12H12O3 |
| InChI |
InChI=1S/C12H12O3/c13-9-11-5-1-2-6-12(11,10(14)15-9)8-4-3-7-11/h1-4H,5-8H2/t11-,12+ |
| InChIKey |
AVUXPNMUBVSYQO-TXEJJXNPSA-N |
| Molecular Weight |
204.225 g/mol |
| SMILES |
C1[C@]23C(OC([C@]3(CC=C1)CC=CC2)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.884795 |
