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(3aS,6R,6aR)-6,6a-dimethyl-2,3,3a,6-tetrahydropentalen-1-one
SpectraBase Compound ID I9lSd2wyQHS
InChI InChI=1S/C10H14O/c1-7-3-4-8-5-6-9(11)10(7,8)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,10-/m1/s1
InChIKey YNKNHOFLLRTKQG-NQMVMOMDSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1jmKQURKdnv
Name (3as,6R,6ar)-6,6A-Dimethyl-2,3,3A,6-tetrahydropentalen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 150.104465070 u
Formula C10H14O
InChI InChI=1S/C10H14O/c1-7-3-4-8-5-6-9(11)10(7,8)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,10-/m1/s1
InChIKey YNKNHOFLLRTKQG-NQMVMOMDSA-N
Molecular Weight 150.221 g/mol
SMILES [C@@]12(C(CC[C@]1(C=C[C@]2(C)[H])[H])=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960201