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Methyl 6-deuterio-abieta-6,8,11,13-tetraen-18-oate
SpectraBase Compound ID Ee8NdlGWYP3
InChI InChI=1S/C21H28O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7-10,13-14,18H,6,11-12H2,1-5H3/t18-,20-,21-/m1/s1/i10D
InChIKey GNEXBBYESLSHNT-NKWFXWEZSA-N
Mol Weight 313.46 g/mol
Molecular Formula C21H27DO2
Exact Mass 313.215207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMBFJAlGClD
Name Methyl 6-deuterio-abieta-6,8,11,13-tetraen-18-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27DO2
InChI InChI=1S/C21H28O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7-10,13-14,18H,6,11-12H2,1-5H3/t18-,20-,21-/m1/s1/i10D
InChIKey GNEXBBYESLSHNT-NKWFXWEZSA-N
Molecular Weight 313.459 g/mol
SMILES [C@]12([C@@](C([D])=Cc3c2ccc(C(C)C)c3)([C@@](C(=O)OC)(C)CCC1)[H])C
SPLASH splash10-000i-0092000000-37a883130284fa3a0331
Source of Spectrum SK-28-3086-3
Wiley ID 868636