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3-Oxabicyclo[3.2.0]heptane, 6-ethenyl-, (1.alpha.,5.alpha.,6.alpha.)-
SpectraBase Compound ID 22K1uPGp6Zr
InChI InChI=1S/C8H12O/c1-2-6-3-7-4-9-5-8(6)7/h2,6-8H,1,3-5H2/t6-,7+,8+/m1/s1
InChIKey PBDXCWALIMGDCX-CSMHCCOUSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7bveokiXcOc
Name 3-Oxabicyclo[3.2.0]heptane, 6-ethenyl-, (1.alpha.,5.alpha.,6.alpha.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 124.088815005 u
Formula C8H12O
InChI InChI=1S/C8H12O/c1-2-6-3-7-4-9-5-8(6)7/h2,6-8H,1,3-5H2/t6-,7+,8+/m1/s1
InChIKey PBDXCWALIMGDCX-CSMHCCOUSA-N
Molecular Weight 124.183 g/mol
SMILES [C@]1([C@@]2(COC[C@@]2(C1)[H])[H])(C=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889076