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((4aS,7aR)-4a-Methyl-hexahydro-cyclopenta[b]pyran-7a-yl)-acetonitrile
SpectraBase Compound ID CGbDKQwZ9iI
InChI InChI=1S/C11H17NO/c1-10-4-2-6-11(10,7-8-12)13-9-3-5-10/h2-7,9H2,1H3/t10-,11+/m0/s1
InChIKey CWPKHTNJCRGUDE-WDEREUQCSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Dp1L4tCBH6
Name ((4aS,7aR)-4a-Methyl-hexahydro-cyclopenta[b]pyran-7a-yl)-acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-10-4-2-6-11(10,7-8-12)13-9-3-5-10/h2-7,9H2,1H3/t10-,11+/m0/s1
InChIKey CWPKHTNJCRGUDE-WDEREUQCSA-N
Molecular Weight 179.263 g/mol
SMILES [C@@]12([C@](CCC2)(C)CCCO1)CC#N
SPLASH splash10-000i-4900000000-7e26e6768dc2592e27d1
Source of Spectrum D1-2007-1050-8
Synonyms ((4aS,7aR)-4a-methylhexahydrocyclopenta[b]pyran-7a(2H)-yl)acetonitrile (4a-Methylhexahydrocyclopenta[b]pyran-7a-yl)-acetonitrile
Wiley ID 1614446