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3'-Ethyl-1,3',7,7-tetramethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]-d2
SpectraBase Compound ID AIuj9R36jnQ
InChI InChI=1S/C16H28/c1-6-14(4)10-16(11-14)9-12-7-8-15(16,5)13(12,2)3/h12H,6-11H2,1-5H3/t12-,14-,15-,16-/m0/s1/i1D,4D
InChIKey NHBUSLVVCRWHDK-XQUMHMKCSA-N
Mol Weight 222.41 g/mol
Molecular Formula C16H26D2
Exact Mass 222.231654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMVDP8unlH3
Name 3'-Ethyl-1,3',7,7-tetramethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]-d2
Appearance Colorless liquid
Carrier Gas Helium
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Formula C16H26D2
GC Oven Program Oven temp 150oC
InChI InChI=1S/C16H28/c1-6-14(4)10-16(11-14)9-12-7-8-15(16,5)13(12,2)3/h12H,6-11H2,1-5H3/t12-,14-,15-,16-/m0/s1/i1D,4D
InChIKey NHBUSLVVCRWHDK-XQUMHMKCSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2478
Molecular Weight 222.412 g/mol
SMILES C1[C@]2(C([C@@](C1)(C[C@]21C[C@](C1)(CC[D])C[D])[H])(C)C)C
SPLASH splash10-0a4u-4900000000-257c4152a6d7ab4b82fe
Sample Comments anti isomer
Source of Spectrum Y-53-1756-4
Wiley ID 1876660