SpectraBase Compound ID | FPgkjSBEqwL |
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InChI | InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1 |
InChIKey | WFDLHRVMODABGC-JGVFFNPUSA-N |
Mol Weight | 124.23 g/mol |
Molecular Formula | C9H16 |
Exact Mass | 124.125201 g/mol |
SpectraBase Spectrum ID | D6skiKbmkR3 |
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Name | cis-1,4-Dimethyl-2-methylenecyclohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 124.125200515 u |
Formula | C9H16 |
InChI | InChI=1S/C9H16/c1-7-4-5-8(2)9(3)6-7/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1 |
InChIKey | WFDLHRVMODABGC-JGVFFNPUSA-N |
Molecular Weight | 124.227 g/mol |
SMILES | C1C[C@](C(C[C@]1(C)[H])=C)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833501 |