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Pinane

View entire compound with spectra: 9 MS (GC)

Pinane
SpectraBase Compound ID GaM1veD1QaW
InChI InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey XOKSLPVRUOBDEW-UHFFFAOYSA-N
Mol Weight 138.25 g/mol
Molecular Formula C10H18
Exact Mass 138.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2glDXVmsh2z
Name 2,6,6-Trimethylbicyclo[3.1.1]heptane
CAS Registry Number 6876-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18
InChI InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey XOKSLPVRUOBDEW-UHFFFAOYSA-N
Molecular Weight 138.254 g/mol
SMILES CC1(C)C2C(CCC1C2)C
SPLASH splash10-05o3-9000000000-c57546cf776677a1e3c3
Synonyms (-)-trans-Pinane (1alpha,2beta,5alpha)-2,6,6-trimethylbicyclo(3.1.1)heptane 1a,2b,5a-2,6,6-Trimethylbicyclo(3.1.1)heptane 2,6,6-Trimethylbicyclo(3.1.1)heptane 2,6,6-Trimethylnorpinane Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)- 4,6,6-trimethylbicyclo[3.1.1]heptane Bicyclo[3.1.1]heptane, 2,6,6-trimethyl- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, cis- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1.alpha.,2.alpha.,5.alpha.)]- Pinane, stereoisomer Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1.alpha.,2.beta.,5.alpha.)]- Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1S-(1.alpha.,2.beta.,5.alpha.)]- Pinane cis-Pinane Dihydropinene AI3-26466 EINECS 207-467-1 EINECS 229-978-9 HSDB 5664 NSC 76674
Wiley ID 1504355