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(1R,3R,5S)-7,7-dimethyl-4-methylidene-3-propan-2-ylbicyclo[3.1.1]heptane
SpectraBase Compound ID 3nPWmoq3aZM
InChI InChI=1S/C13H22/c1-8(2)11-6-10-7-12(9(11)3)13(10,4)5/h8,10-12H,3,6-7H2,1-2,4-5H3/t10-,11-,12-/m1/s1
InChIKey QRGWLADLMUDKSM-IJLUTSLNSA-N
Mol Weight 178.32 g/mol
Molecular Formula C13H22
Exact Mass 178.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hzQaKMFcac
Name (+)-3-Isopropyl-2-methyleneapopinane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22
InChI InChI=1S/C13H22/c1-8(2)11-6-10-7-12(9(11)3)13(10,4)5/h8,10-12H,3,6-7H2,1-2,4-5H3/t10-,11-,12-/m1/s1
InChIKey QRGWLADLMUDKSM-IJLUTSLNSA-N
Molecular Weight 178.319 g/mol
SMILES [C@@]12(C([C@](C[C@@](C2(C)C)(C1)[H])(C(C)C)[H])=C)[H]
SPLASH splash10-001r-9500000000-abfed75260b432af1ffa
Source of Spectrum J-59-2031-6
Synonyms (+)-3-Isopropyl-2-methylenapopinane (1S,3R,5R)-3-Isopropyl-6,6-dimethyl-2-methylene-bicyclo[3.1.1]heptane 3-isopropyl-4,6,6-trimethylbicyclo[3.1.1]hept-2-ene (1R,3R,5S)-6,6-dimethyl-4-methylene-3-propan-2-ylbicyclo[3.1.1]heptane (1R,3R,5S)-6,6-dimethyl-4-methylidene-3-propan-2-ylbicyclo[3.1.1]heptane (1R,3R,5S)-6,6-dimethyl-4-methylidene-3-propan-2-yl-bicyclo[3.1.1]heptane
Wiley ID 1174898