For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cyclohexanone, 4-(acetyloxy)-2-[7-(1,5-dimethylhexyl)-1,5,6,6a,7,8,9,9a-octahydro-6a-methylindeno[4,5-e][1,2]oxazin-2-yl]-2-methyl-, [6aR-[2(2S*,4S*),6a.alpha.,7.alpha.(R*),9a.beta.]]-
SpectraBase Compound ID 86gJkeAZ3xm
InChI InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-21-12-14-24-23-18-26(30-34-25(23)16-17-28(21,24)3)29(4)19-22(33-20(2)31)13-15-27(29)32/h21-22,24H,5-19H2,1-4H3
InChIKey KZTBOJGWXVRRBC-UHFFFAOYSA-N
Mol Weight 471.7 g/mol
Molecular Formula C29H45NO4
Exact Mass 471.334859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2jcg0RU3Ai
Name Cyclohexanone, 4-(acetyloxy)-2-[7-(1,5-dimethylhexyl)-1,5,6,6a,7,8,9,9a-octahydro-6a-methylindeno[4,5-e][1,2]oxazin-2-yl]-2-methyl-, [6aR-[2(2S*,4S*),6a.alpha.,7.alpha.(R*),9a.beta.]]-
CAS Registry Number 105823-42-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45NO4
InChI InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-21-12-14-24-23-18-26(30-34-25(23)16-17-28(21,24)3)29(4)19-22(33-20(2)31)13-15-27(29)32/h21-22,24H,5-19H2,1-4H3
InChIKey KZTBOJGWXVRRBC-UHFFFAOYSA-N
Molecular Weight 471.682 g/mol
SMILES C=12C3C(C(CCCCCCCC)CC3)(C)CCC1ON=C(C1(C(=O)CCC(OC(=O)C)C1)C)C2
SPLASH splash10-0006-9000100000-00199194edb7d5b4c247
Source of Spectrum I-64-1542-9
Synonyms Indeno[4,5-e][1,2]oxazine, cyclohexanone deriv. 1-Methyl-2-octyl-9-aza-10-oxa-8-(1'-methyl-2-oxo-5-acetoxy-cyclohexyl)-tricyclo[3.8.0(1,5)]tridecan-6(11),8-diene 3-(6a-methyl-7-octyl-1,5,6,6a,7,8,9,9a-octahydroindeno[4,5-e][1,2]oxazin-2-yl)-3-methyl-4-oxocyclohexyl acetate
Wiley ID 1393147