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3-Buten-2-ol, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, [1.alpha.,2.alpha.(1E,3S*),6.alpha.]-
SpectraBase Compound ID B9dPwVrim5J
InChI InChI=1S/C13H22O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,9-11,14H,7-8H2,1-4H3/b6-5+/t9-,10?,11+,13-/m0/s1
InChIKey SSAZLMYGUQCCPI-SMJKREQLSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHHEvl84mC2
Name 3-Buten-2-ol, 4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)-, [1.alpha.,2.alpha.(1E,3S*),6.alpha.]-
CAS Registry Number 72523-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9(14)5-6-10-12(2,3)8-7-11-13(10,4)15-11/h5-6,9-11,14H,7-8H2,1-4H3/b6-5+/t9-,10?,11+,13-/m0/s1
InChIKey SSAZLMYGUQCCPI-SMJKREQLSA-N
Molecular Weight 210.317 g/mol
SMILES O[C@](\C=C\C1[C@@]2(O[C@@]2(CCC1(C)C)[H])C)(C)[H]
SPLASH splash10-05mp-9400000000-ed466aaec676d20f683e
Source of Spectrum H-62-1886-0
Synonyms (2S,3E)-4-[(1S,6R)-1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl]-3-buten-2-ol 7-Oxabicyclo[4.1.0]heptane, 3-buten-2-ol deriv. trans-.alpha.-ionolepoxide
Wiley ID 1209544