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6-Hexylhexan-6-olide

View entire compound with spectra: 4 MS (GC)

6-Hexylhexan-6-olide
SpectraBase Compound ID 8ASEnuk6QV6
InChI InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey FRTMRFCNTDDSOB-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu8gvp4xGOQ
Name 6-Hexylhexan-6-olide
Alternate Name(s) .epsilon.-Dodecalactone 2-Oxepanone, 7-hexyl- 7-Hexyl-2-oxepanone 7-Hexyloxepan-2-one
CAS Registry Number 16429-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey FRTMRFCNTDDSOB-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES C1(OC(CCCC1)CCCCCC)=O
SPLASH splash10-01p9-9500000000-a643bc068105e1e4b538
Source of Spectrum KC-0-86-11
Wiley ID 775879