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1H-Inden-1-one, octahydro-4-methyl-, (3a.alpha.,4.alpha.,7a.beta.)-(.+-.)-
SpectraBase Compound ID 1vrKLLX9KwD
InChI InChI=1S/C10H16O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h7-9H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKey HPZUDGWWNJYFNB-VGMNWLOBSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6BOdez7eqhG
Name 1H-Inden-1-one, octahydro-4-methyl-, (3A.alpha.,4.alpha.,7A.beta.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 152.120115134 u
Formula C10H16O
InChI InChI=1S/C10H16O/c1-7-3-2-4-9-8(7)5-6-10(9)11/h7-9H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKey HPZUDGWWNJYFNB-VGMNWLOBSA-N
Molecular Weight 152.237 g/mol
SMILES [C@]12([C@@](C(=O)CC2)(CCC[C@]1(C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868482
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