SpectraBase Compound ID | DjXVVhpb6zG |
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InChI | InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h4-7H,1-3H2/t6-,7+ |
InChIKey | LMULYBMQCQUKHQ-KNVOCYPGSA-N |
Mol Weight | 94.16 g/mol |
Molecular Formula | C7H10 |
Exact Mass | 94.07825 g/mol |
SpectraBase Spectrum ID | 726qCc1lMa4 |
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Name | Bicyclo-[3.2.0]-hept-6-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 94.078250322 u |
Formula | C7H10 |
InChI | InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h4-7H,1-3H2/t6-,7+ |
InChIKey | LMULYBMQCQUKHQ-KNVOCYPGSA-N |
Molecular Weight | 94.157 g/mol |
SMILES | [C@@]12([H])C=C[C@]2(CCC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947289 |