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ETHYL-2-ALPHA-OCTYL-PERHYDRO-6-AZULENE-CARBOXYLATE
SpectraBase Compound ID BIHeZytk63C
InChI InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-17-15-19-13-11-18(21(22)23-4-2)12-14-20(19)16-17/h17-20H,3-16H2,1-2H3/t17-,18+,19?,20?
InChIKey GQXWOYIWWMSWNU-VCWRXUFXSA-N
Mol Weight 322.5 g/mol
Molecular Formula C21H38O2
Exact Mass 322.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kfayzyc0SV
Name cis-Ethyl 2-octylperhydro-6-azulenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O2
InChI InChI=1S/C21H38O2/c1-3-5-6-7-8-9-10-17-15-19-13-11-18(21(22)23-4-2)12-14-20(19)16-17/h17-20H,3-16H2,1-2H3/t17-,18+,19?,20?
InChIKey GQXWOYIWWMSWNU-VCWRXUFXSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.44
Molecular Weight 322.533 g/mol
Reported Formula C21H38O2
SMILES C1[C@](CC2CC[C@](CCC12)(C(=O)OCC)[H])(CCCCCCCC)[H]
SPLASH splash10-05fr-0398000000-c86c4482cd08a968b58f
Source of Spectrum BJO-8-408-5a
Wiley ID 1867364