SpectraBase Compound ID | 3lk1Pt2Bz1d |
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InChI | InChI=1S/C11H10F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2 |
InChIKey | MYFINKJMNZCMKF-UHFFFAOYSA-N |
Mol Weight | 180.2 g/mol |
Molecular Formula | C11H10F2 |
Exact Mass | 180.075057 g/mol |
SpectraBase Spectrum ID | 3wlc21eokUC |
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Name | 1-(Difluoromethylene)tetralin |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.075056648 u |
Formula | C11H10F2 |
InChI | InChI=1S/C11H10F2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2 |
InChIKey | MYFINKJMNZCMKF-UHFFFAOYSA-N |
Molecular Weight | 180.198 g/mol |
SMILES | C1(CCCC=2C=CC=CC12)=C(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944353 |