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2-[3'-(Hydroxymethyl)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclobutan]-3'-yl]ethanol
SpectraBase Compound ID IMF5C08cTYT
InChI InChI=1S/C16H28O2/c1-13(2)12-4-5-14(13,3)16(8-12)9-15(10-16,11-18)6-7-17/h12,17-18H,4-11H2,1-3H3/t12-,14-,15-,16+/m0/s1
InChIKey IKSKTNXWJSALTN-QCEMKRCNSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8ajIaRWIS5
Name 2-[3'-(Hydroxymethyl)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,1'-cyclobutan]-3'-yl]ethanol
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
GC Oven Program Oven temp 150oC
InChI InChI=1S/C16H28O2/c1-13(2)12-4-5-14(13,3)16(8-12)9-15(10-16,11-18)6-7-17/h12,17-18H,4-11H2,1-3H3/t12-,14-,15-,16+/m0/s1
InChIKey IKSKTNXWJSALTN-QCEMKRCNSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2478
Molecular Weight 252.398 g/mol
SMILES OCC[C@]1(CO)C[C@]2(C[C@]3(C([C@@]2(CC3)C)(C)C)[H])C1
SPLASH splash10-0a59-9700000000-7519c6cc9c9442d637dd
Sample Comments anti isomer
Source of Spectrum Y-53-1757-6
Thin-Layer Chromatography Rf = 0.11 (hexane/ethyl acetate, 3:1)
Wiley ID 1876662