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2-Oxecanone, 10-methyl-7-nitro-, (7R*,10S*)-(.+-.)-
SpectraBase Compound ID HJy20m8P6mT
InChI InChI=1S/C10H17NO4/c1-8-6-7-9(11(13)14)4-2-3-5-10(12)15-8/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey XVRGSTGVQMINAO-DTWKUNHWSA-N
Mol Weight 215.25 g/mol
Molecular Formula C10H17NO4
Exact Mass 215.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFnk1RRZyFO
Name 2-Oxecanone, 10-methyl-7-nitro-, (7R*,10S*)-(.+-.)-
CAS Registry Number 95404-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO4
InChI InChI=1S/C10H17NO4/c1-8-6-7-9(11(13)14)4-2-3-5-10(12)15-8/h8-9H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey XVRGSTGVQMINAO-DTWKUNHWSA-N
Molecular Weight 215.249 g/mol
SMILES [C@@]1(N(=O)=O)(CC[C@@](OC(CCCC1)=O)(C)[H])[H]
SPLASH splash10-05mo-9100000000-eeb140b0e90c5c1b3619
Source of Spectrum H-67-1719-0
Synonyms (7R,10S)-10-methyl-7-nitro-2-oxecanone 6-Nitro-9-decanolide
Wiley ID 1214451