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3-(1,3,5,7-Cyclooctatetrenyl)-1-propanol-1,1-D2

View entire compound with spectra: 1 MS (GC)

3-(1,3,5,7-Cyclooctatetrenyl)-1-propanol-1,1-D2
SpectraBase Compound ID 6aC4cjRqd7J
InChI InChI=1S/C11H14O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-8,12H,6,9-10H2/b2-1-,3-1-,4-2-,5-3-,7-4-,8-5-,11-7+,11-8+/i10D2
InChIKey GGPXPRYQERYIRA-XPXBGPJFSA-N
Mol Weight 164.24 g/mol
Molecular Formula C11H12D2O
Exact Mass 164.117019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3V74k1n3s8E
Name 3-(1,3,5,7-Cyclooctatetrenyl)-1-propanol-1,1-D2
CAS Registry Number 54365-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12D2O
InChI InChI=1S/C11H14O/c12-10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-8,12H,6,9-10H2/b2-1-,3-1-,4-2-,5-3-,7-4-,8-5-,11-7+,11-8+/i10D2
InChIKey GGPXPRYQERYIRA-XPXBGPJFSA-N
Molecular Weight 164.244 g/mol
SMILES OC(CC\C1=C\C=C/C=C\C=C/1)([D])[D]
SPLASH splash10-014i-4900000000-442d1e6ea5d7ef704245
Source of Spectrum B-25-1113-3
Wiley ID 13341