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ETHYL-2-ALPHA-OCTYL-1,2,3,6-TETRAHYDRO-6-AZULENE-CARBOXYLATE
SpectraBase Compound ID 96g50pDG2XJ
InChI InChI=1S/C21H32O2/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/h11-14,17-18H,3-10,15-16H2,1-2H3/t17-,18+
InChIKey OLLVFNZBZPYAMF-HDICACEKSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GnuXSqeKZ
Name cis-Ethyl 2-octyl-1,2,3,6-tetrahydro-6-azulenecarboxylate
Appearance Light-bluish liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/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/h11-14,17-18H,3-10,15-16H2,1-2H3/t17-,18+
InChIKey OLLVFNZBZPYAMF-HDICACEKSA-N
Instrument Name Finnigan MAT 8430
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.44
Molecular Weight 316.485 g/mol
Reported Formula C21H32O2
SMILES C1[C@](CC=2C=C[C@](C=CC12)(C(=O)OCC)[H])(CCCCCCCC)[H]
SPLASH splash10-0006-0090000000-dfdf4bafbfdd5793c9c4
Source of Spectrum BJO-8-407-4a
Wiley ID 1867362