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1-(1'-Hydroxycyclododecyl)-2-buten-1-one
SpectraBase Compound ID 7nU2D0gaKR9
InChI InChI=1S/C16H28O2/c1-2-12-15(17)16(18)13-10-8-6-4-3-5-7-9-11-14-16/h2,12,18H,3-11,13-14H2,1H3/b12-2+
InChIKey WEWRWJCIRJORGD-SWGQDTFXSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aj34l84xURw
Name 1-(1'-Hydroxycyclododecyl)-2-buten-1-one
Alternate Name(s) (2E)-1-(1-hydroxycyclododecyl)-2-buten-1-one
CAS Registry Number 72252-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-2-12-15(17)16(18)13-10-8-6-4-3-5-7-9-11-14-16/h2,12,18H,3-11,13-14H2,1H3/b12-2+
InChIKey WEWRWJCIRJORGD-SWGQDTFXSA-N
Molecular Weight 252.398 g/mol
SMILES OC1(C(\C=C\C)=O)CCCCCCCCCCC1
SPLASH splash10-053v-9200000000-588c2ea4770c03ac43fe
Source of Spectrum J-45-402-0
Wiley ID 1256121