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Isopropyl (6R,7R)-[4,5,6,7-2H4]-Hexadecanoate

View entire compound with spectra: 1 MS (GC)

Isopropyl (6R,7R)-[4,5,6,7-2H4]-Hexadecanoate
SpectraBase Compound ID 12yiFAiBuTk
InChI InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3/i12D,13D,14D,15D/t12-,13-,14?,15?/m1/s1
InChIKey XUGNVMKQXJXZCD-UQPUGMPKSA-N
Mol Weight 302.5 g/mol
Molecular Formula C19H342D4O2
Exact Mass 302.312287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2utaGE5Ao7
Name Isopropyl (6R,7R)-[4,5,6,7-2H4]-Hexadecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34D4O2
InChI InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3/i12D,13D,14D,15D/t12-,13-,14?,15?/m1/s1
InChIKey XUGNVMKQXJXZCD-UQPUGMPKSA-N
Molecular Weight 302.535 g/mol
SMILES C(=O)(OC(C)C)CCC(C([C@@]([C@@](CCCCCCCCC)([2D])[H])([2D])[H])[2D])[2D]
SPLASH splash10-0gvo-9230000000-92ab75badcbac36bb6eb
Source of Spectrum SO-0-2148-13
Wiley ID 877163