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2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, acetate (9CI)
SpectraBase Compound ID KP9ZEyh4Rma
InChI InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14-,17-,18-/m0/s1
InChIKey ANPXCNWSCGYEMA-IXSMICAFSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Go1iCVFOF90
Name 2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, acetate (9CI)
CAS Registry Number 59056-62-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3/t12?,13-,14-,17-,18-/m0/s1
InChIKey ANPXCNWSCGYEMA-IXSMICAFSA-N
Molecular Weight 276.420 g/mol
Number of Peaks 50
RI1 1785
RI2 1463
RI3 1558
RI4 1520
SMILES C(=O)(OCC1[C@@]23[C@@]4(C(CC1)(C)C)C[C@](C[C@]34[H])(C2(C)C)[H])C
SPLASH splash10-0uxv-5950000000-5300b69188cf252254fc
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, 4-acetate
Wiley ID LM_FFNSC3_3144