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ARMATIN-D;12-BETA-METHOXYLEMNAL-1-(10)-EN-2-ALPHA-OL
SpectraBase Compound ID JrFbVQHgfNy
InChI InChI=1S/C16H26O3/c1-9-7-12(17)8-11-5-6-13-14(16(9,11)3)10(2)15(18-4)19-13/h8-10,12-15,17H,5-7H2,1-4H3/t9-,10-,12-,13-,14-,15+,16+/m0/s1
InChIKey RVIFTQUMZYSBBG-XBNBVDRNSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uhKTJeG8
Name 12.beta.-methoxylemnal-1(10)-en-2.alpha.-ol
Alternate Name(s) Armarin D
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O3
InChI InChI=1S/C16H26O3/c1-9-7-12(17)8-11-5-6-13-14(16(9,11)3)10(2)15(18-4)19-13/h8-10,12-15,17H,5-7H2,1-4H3/t9-,10-,12-,13-,14-,15+,16+/m0/s1
InChIKey RVIFTQUMZYSBBG-XBNBVDRNSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np0400858
Molecular Weight 266.381 g/mol
Optical Rotation [a]D25 = -178 (c = 0.1, CHCl3)
Reported Formula C16H26O3
SMILES O[C@@]1(C=C2[C@@]([C@](C1)(C)[H])([C@@]1([C@](CC2)(O[C@]([C@]1(C)[H])(OC)[H])[H])[H])C)[H]
SPLASH splash10-0a4i-3910000000-7c9f760ee39b4d33c72f
Source of Spectrum G4-67-1458-4
Wiley ID 1881908