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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 2d514WTZMO1
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 C1C(OC(CCC1)=O)CCCCCC
SPLASH splash10-0a5i-9100000000-eee015113c049c25b00c
Source of Spectrum NP-4-92-0
Wiley ID 1103457