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.gamma.-dihydroionol-p-nitrobenzoyl ester
SpectraBase Compound ID 1omAEkKyDEx
InChI InChI=1S/C20H27NO4/c1-14-6-5-13-20(3,4)18(14)12-7-15(2)25-19(22)16-8-10-17(11-9-16)21(23)24/h8-11,15,18H,1,5-7,12-13H2,2-4H3
InChIKey KWFVKPSFVXHGEN-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Evf3B36O9c
Name .gamma.-dihydroionol-p-nitrobenzoyl ester
Classification Sesquiterpenoids
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 345.194008349 u
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-14-6-5-13-20(3,4)18(14)12-7-15(2)25-19(22)16-8-10-17(11-9-16)21(23)24/h8-11,15,18H,1,5-7,12-13H2,2-4H3
InChIKey KWFVKPSFVXHGEN-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
Number of Peaks 17
SMILES C1(CCCC(=C)C1CCC(C)OC(c1ccc(cc1)[N+](=O)[O-])=O)(C)C
SPLASH splash10-0ckl-2900000000-f4c36dcd9ee1227fde5a
Source of Spectrum FF-22-508-18_diastereomer2 (DOI: 10.1002/ffj.1832)
Synonyms 4-(2,2-dimethyl-6-methylenecyclohexyl)butan-2-yl 4-nitrobenzoate
Wiley ID 1775495