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2-Octyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one
SpectraBase Compound ID JX5OYKcoQwb
InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-9-14-12-13-10-8-11-15(13)16(14)17/h12-13,15H,2-11H2,1H3
InChIKey NHDIMFNXLYBRCW-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Akor8g8OWCh
Name 2-Octyl-4,5,6,6a-tetrahydro-3aH-pentalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O
InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-9-14-12-13-10-8-11-15(13)16(14)17/h12-13,15H,2-11H2,1H3
InChIKey NHDIMFNXLYBRCW-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES C=1(C(C2CCCC2C1)=O)CCCCCCCC
SPLASH splash10-004r-4930000000-cfb08cced8a265f627dc
Source of Spectrum F-50-6962-6
Wiley ID 1236680