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ARMATIN-E;12-BETA-METHOXYLEMNAL-1-(10)-EN-2-ONE
SpectraBase Compound ID 8sgC9HwmP0h
InChI InChI=1S/C16H24O3/c1-9-7-12(17)8-11-5-6-13-14(16(9,11)3)10(2)15(18-4)19-13/h8-10,13-15H,5-7H2,1-4H3/t9-,10-,13-,14-,15+,16+/m0/s1
InChIKey ZZZNNZMJLVBNDZ-ZAXXHLPPSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eBCpxGjcxM
Name 12.beta.-methoxylemnal-1(10)-en-2-one
Appearance Colorless amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-9-7-12(17)8-11-5-6-13-14(16(9,11)3)10(2)15(18-4)19-13/h8-10,13-15H,5-7H2,1-4H3/t9-,10-,13-,14-,15+,16+/m0/s1
InChIKey ZZZNNZMJLVBNDZ-ZAXXHLPPSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np0400858
Molecular Weight 264.365 g/mol
Optical Rotation [a]D25 = -28 (c = 0.2, CHCl3)
Reported Formula C16H24O3
SMILES C1(C=C2[C@@]([C@](C1)(C)[H])([C@@]1([C@](CC2)(O[C@]([C@]1(C)[H])(OC)[H])[H])[H])C)=O
SPLASH splash10-014i-9430000000-45009be4eb0381b3e871
Source of Spectrum G4-67-1458-5
Synonyms Armatin E
Wiley ID 1881909