SpectraBase Compound ID | 5jILgXcoh3r |
---|---|
InChI | InChI=1S/C7H12O2/c8-6-2-4-1-5(6)3-7(4)9/h4-9H,1-3H2/t4-,5-,6-,7+/m1/s1 |
InChIKey | YHUQPGPXJUVMNN-UHFFFAOYSA-N |
Mol Weight | 128.17 g/mol |
Molecular Formula | C7H12O2 |
Exact Mass | 128.08373 g/mol |
SpectraBase Spectrum ID | A4LigCh3D1C |
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Name | 2,5-Norbornanediol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 128.083729624 u |
Formula | C7H12O2 |
InChI | InChI=1S/C7H12O2/c8-6-2-4-1-5(6)3-7(4)9/h4-9H,1-3H2 |
InChIKey | YHUQPGPXJUVMNN-UHFFFAOYSA-N |
Molecular Weight | 128.171 g/mol |
SMILES | OC1C2CC(C(C2)O)C1 |
Spectrum/Structure Validation Score (Raman) | 0.911138 |